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تعداد موارد: ۱۸۱
مشاهده مقاله

DFT and SQMFF Studies on Structures, Stabilities and Vibrational Spectra of Monomers and Dimer of Antibacterial Agent, Nalidixic Acid

Mohamad Vakili ، Vahidreza Darugar ، Elaheh Valizadeh Kakhki ، Silvia Antonia Brandan

European Journal of Theoretical and Applied Sciences

مجلات خارجی 2025 March Volume (3) No (2) Pages (14-24)
مشاهده مقاله

Supramolecular assembly mediated through NH···OX (X = C, N, P) hydrogen bonds and Y···π (Y = Br, π) contacts: Structural/computational studies of the P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2 phosphoric triamide

Maliheh Khorramaki ، Mehrdad Pourayoubi ، Vahid Rezaei Yazdan Abad ، Vahidreza Darugar ، Mohamad Vakili ، Vaclav Eigner ، Michal Dusek

Journal of Molecular Structure

مجلات خارجی 2025 February Volume (1321) Pages (140068-140081)
مشاهده مقاله

Effect of external electric and magnetic fields on the structural properties of gold nanoclusters formed during inert-gas condensation process in different environments using molecular dynamics simulations

Zahra Valizadeh Abbasghaleh ، Mohamad Vakili ، Mohsen Abbaspour ، Vahidreza Darugar

Journal of Molecular Liquids

مجلات خارجی 2024 November Volume (414) Pages (126142-126161)
مشاهده مقاله

Impact of surface-active ionic solutions on the structure and function of laccase from trametes versicolor: Insights from molecular dynamics simulations

Azam Roohi ، Mohammad Reza Housaindokht ، Mohammad Reza Bozorgmehr ، Mohamad Vakili

Journal of Molecular Graphics and Modelling

مجلات خارجی 2024 November Volume (132) Pages (108844-108856)
مشاهده مقاله

Conductance characteristics of naphthopyran as a light-sensitive molecular optical junction: a joint NEGF-DFT and TD-DFT study

Vahidreza Darugar ، Mohamad Vakili ، Somayeh Heydari ، Ali Reza Berenji

Journal of Computational Electronics

مجلات خارجی 2024 August Volume (23) No (6) Pages (1306-1314)
مشاهده مقاله

Effect of water and ionic liquid vapors on the structural properties of gold nanoclusters formed during inert-gas condensation process using molecular dynamics simulations

Zahra Valizadeh Abbasghaleh ، Mohamad Vakili ، Mohsen Abbaspour ، Vahidreza Darugar

Journal of Molecular Liquids

مجلات خارجی 2024 June Volume (403) No (1) Pages (124867-124880)
مشاهده مقاله

Structure, Tautomeric, and intramolecular hydrogen bond of Difluorobenzoylacetone; IR, UV, NMR, and quantum calculation studies

Erfan Jalili ، Mohamad Vakili ، Vahidreza Darugar ، Hossein Eshghi ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2024 June Volume (1316) Pages (139010-)
مشاهده مقاله

Theoretical study on the structure, spectroscopic, and current–voltage behavior of 11-Cis and Trans retinal isomers in rhodopsin

Amin Hamedian ، Mohamad Vakili ، Silvia Antonia Brandan ، Mahmood Akbari ، Ayoub Kanaani ، Vahidreza Darugar

Scientific Reports

مجلات خارجی 2024 May Volume (14) No (1)
مشاهده مقاله

Molecular approach of Au–Stilbene–Au and Au–TCAB–Au molecular optical electronic devices designed for organic light-sensitive circuits

Vahidreza Darugar ، Mohamad Vakili ، Somayeh Heydari ، Maryam Tahriri ، Silvia Antonia Brandan ، Maria V. Castillo

Optical and Quantum Electronics

مجلات خارجی 2024 March Volume (56) No (5)
مشاهده مقاله

The Computational Study of Fluid Diffusion through Complex Porous Media in the Presence of Gravitational Force and at Different Temperatures Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method

Hamid Zahedi ، Mohamad Vakili

Iranian Journal of Science and Technology-Transactions of Mechanical Engineering

مجلات خارجی 2023 December Volume (47) No (4) Pages (1553-1570)
مشاهده مقاله

Influence of fluorine substitution on the molecular structure, vibrational assignment, Cu–O bond strength and biological properties by comparing copper (II) trifluorobenzoylacetonate and benzoylacetonate complexes

Mahnoosh Hakimitabar ، Mohamad Vakili ، Mohammad Reza Housaindokht ، Vahidreza Darugar ، Sayyed Faramarz Tayyari

Journal of the Iranian Chemical Society

مجلات خارجی 2023 September Volume (20) No (12) Pages (2949-2961)
مشاهده مقاله

Tautomerism in pyridinyl methyl β-diketones in the liquid and the solid state; a combined computational and experimental study

Mohamad Vakili ، Vahidreza Darugar ، Fadhil S. Kamounah ، Poul Erik Hansen ، Mathias Hermann ، Michael Pittelkow

Journal of Molecular Liquids

مجلات خارجی 2023 August Volume (383) Pages (122074-122084)
مشاهده مقاله

Clarifying the Vital Role of Fluid Type in Diffusion through Complex Porous Media under Apparently Weak but Essentially Powerful Force of Gravity by Simulations Performed Using Image Processing Technique and D3Q27 Model of Lattice Boltzmann Method

Hamid Zahedi ، Mohamad Vakili

Microgravity Science and Technology

مجلات خارجی 2023 July Volume (35) No (4)
مشاهده مقاله

The effect of alkyl substituents in the β-side on the conformation, molecular structure, and copper-oxygen bond strength of bis(β-diketonato)copper(II) complexes by DFT results and experimental vibrational and UV spectra

Mahnoosh Hakimitabar ، Mohamad Vakili ، Vahidreza Darugar ، Mahmood Akbari ، Sayyed Faramarz Tayyari ، Mohammad Reza Housaindokht

Transition Metal Chemistry

مجلات خارجی 2023 July Volume (48) No (5) Pages (315-329)
مشاهده مقاله

Impact of Different Groups on Properties of All Members of the Series of 1-X-Benzotriazole Derivatives (X= H, OH, NH2, Cl and CH3)

Maria E. Manzur ، Maximiliano A. Iramain ، Vahidreza Darugar ، Mohamad Vakili ، Silvia Antonia Brandan

European Journal of Theoretical and Applied Sciences

مجلات خارجی 2023 June Volume (1) No (3) Pages (406-440)
مشاهده مقاله

Computational studies of chalcogen doped on graphene vs. chalcogen doped on CNT and their role in the catalytic performance of electrochemical CO2 reduction

Mohamad Vakili ، Ramesh Kheirabadi ، Mahmood Akbari ، Razieh Morad ، Malik Maaza

Materials Today Communications

مجلات خارجی 2023 June Volume (35) Pages (105631-)
مشاهده مقاله

Electronic transport on the two state “ON–OFF” of 1,3,3-trimethylindolino-6′-nitrobenzopyrylospiran as a light-driven molecular optical switch: A first-principle study

Vahidreza Darugar ، Mohamad Vakili ، Silvia Antonia Brandan ، Shakiba Adli

Journal of Molecular Graphics and Modelling

مجلات خارجی 2023 May Volume (120) Pages (108420-)
مشاهده مقاله

Transition metals doped ZnS nanocluster for carbon monoxide detection: A DFT study

Ayoub Kanaani ، Mahmood Akbari ، Mohamad Vakili ، Razieh Morad ، Davood Ajloo ، Malik Maaza

Materials Today Communications

مجلات خارجی 2023 March Volume (34) No (1) Pages (105491-105499)
مشاهده مقاله

Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study

Poul Erik Hansen ، Vahidreza Darugar ، Mohamad Vakili ، Fadhil S. Kamounah

Magnetic Resonance in Chemistry

مجلات خارجی 2023 March Volume (61) No (6) Pages (356-362)
مشاهده مقاله

Synthesis, molecular structure, conformational, and intramolecular hydrogen bond strength of ethyl 3-amino-2-butenoate and its N-Me, N-Ph, and N-Bn analogs; An experimental and theoretical study

Mahmoud Bazrafshan ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Fadhil S. Kamounah ، Poul Erik Hansen ، Ali Shiri

Journal of Molecular Structure

مجلات خارجی 2023 February Volume (1274) No (1) Pages (134479-134489)
مشاهده مقاله

First-principle study of the current–voltage on the β-diketones with alkyl and methoxy groups at the beta position as molecular switches

Mohammad Eslahaliabadi ، Mohamad Vakili ، Ayoub Kanaani ، Vahidreza Darugar ، Seyedabdollah Seyedkatouli

Chemical Physics Letters

مجلات خارجی 2022 December Volume (809) Pages (140152-140158)
مشاهده مقاله

Competitor hydrogen-bond acceptors in the SP(NH)3-based structures: Comparison of structural features – Computational/database and experimental

Maliheh Khorramaki ، Mohammad Abad ، Vahidreza Darugar ، Mehrdad Pourayoubi ، Mohamad Vakili ، Marek Necas ، Duane Choquesillo-Lazarte ، Pavel V. Andreev ، Ekaterina S. Shchegravina

Polyhedron

مجلات خارجی 2022 December Volume (228) Pages (116157-116157)
مشاهده مقاله

First-principle study on the electronic transport properties of 1,2-bis(2,4-dimethyl-5-phenyl-3-thienyl)perfluorocyclopentene (a diarylethene) as an optical molecular switch

Ali Reza Berenji ، Mohamad Vakili ، Ayoub Kanaani ، Valiollah Mandanipour ، Seyedabdollah Seyedkatouli

Journal of the Iranian Chemical Society

مجلات خارجی 2022 October Volume (20) No (1) Pages (163-173)
مشاهده مقاله

Electrical transport and NDR property on the cis–trans photo-isomerization of (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate as an optical molecular switch; A DFT-NEGF study

Vahidreza Darugar ، Mohamad Vakili ، Silvia Antonia Brandan

Chemical Physics Letters

مجلات خارجی 2022 September Volume (803) Pages (139818-139826)
مشاهده مقاله

Vibrational spectra, conformation and molecular transport of 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one

Mahmoud Bazrafshan ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Fadhil S.Kamounah ، Poul ErikHansen ، Mohammad Reza Housaindokht

Journal of Molecular Structure

مجلات خارجی 2022 September Volume (1272) Pages (134178-)
مشاهده مقاله

Authentication of potential energy distribution by VEDA in vibrational assignment some of copper (II) of β-diketone complexes

Faezeh Ahmadi ، Mohamad Vakili ، Vahidreza Darugar ، Ali Reza Berenji

Journal of the Iranian Chemical Society

مجلات خارجی 2022 August Volume (19) No (12) Pages (4659-4667)
مشاهده مقاله

Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin

Vahidreza Darugar ، Mohamad Vakili ، Maria E. Manzur ، Silvia Antonia Brandan

Journal of Molecular Modeling

مجلات خارجی 2022 August Volume (28) No (9)
مشاهده مقاله

First-principle study on the conductance performance of Salicylidene Ethylamine molecular optical switch and its alkyl halide derivatives

Vahidreza Darugar ، Mohamad Vakili ، Maryam Tahriri ، Ali Reza Berenji ، Reza Nekoei ، Ayoub Kanaani

Optical and Quantum Electronics

مجلات خارجی 2022 July Volume (54) No (9)
مشاهده مقاله

Computational modeling of the catalytic cycle of the di-chalcogenide compounds in the capture and release of carbon dioxide: effect of temperature and substitution on the catalytic activity

، Mohamad Vakili ، Razieh Morad ، Malik Maaza

Journal of the Iranian Chemical Society

مجلات خارجی 2022 May Volume (19) No (9) Pages (3963-3979)
مشاهده مقاله

Optimized molecular geometry, vibrational analysis, and Fe-O bond strength of Tris(α-cyanoacetylacetonate)iron(III):An experimental and theoretical study

Farzad Gandomi ، Mohamad Vakili ، Vahidreza Darugar ، Reza Takjoo ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2022 January Volume (1248) No (1) Pages (131444-131453)
مشاهده مقاله

Isomerism, molecular structure, and vibrational assignment of tris(triflouroacetylacetonato)iron(III): An experimental and theoretical study

Farzad Gandomi ، Mohamad Vakili ، Reza Takjoo ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2022 January Volume (1248) No (1) Pages (131347-131359)
مشاهده مقاله

Insight into the computational modeling and reaction mechanism of the catalytic cycle of benzyl-dichalcogenide compounds in capture and release of carbon dioxide

Mohamad Vakili ، Ramesh Kheirabadi

Molecular Catalysis

مجلات خارجی 2022 January Volume (517) No (1) Pages (112045-112054)
مشاهده مقاله

Electronic transport behavior of 4,6-bis(4-nitrophenyl)-2-phenyl-3,5-diaza-bicyclo[3.1.0]hex-2-ene (a bicyclic aziridine) as optical molecular switch: a first-principles approach

Raheleh Afzali ، Mohamad Vakili

Journal of Computational Electronics

مجلات خارجی 2022 January Volume (21) No (1) Pages (61-70)
مشاهده مقاله

NH Stretching Frequencies of Intramolecularly Hydrogen-Bonded Systems: An Experimental and Theoretical Study

Poul Erik Hansen ، Mohamad Vakili ، Fadhil S. Kamounah ، Jens Spanget-Larsen

Molecules

مجلات خارجی 2021 December Volume (26) No (24) Pages (1-19)
مشاهده مقاله

Molecular structure, hydrogen bond strength, and infrared Fourier transform vibrational assignment of 2,6-dimethylheptane-3,5-dione

ZAHRA SAYYAR ، Mohamad Vakili ، Ayoub Kanaani ، Seyed Saman Vakili ، Hossein Eshghi

Journal of Molecular Structure

مجلات خارجی 2021 November Volume (1243) No (1) Pages (130803-130814)
مشاهده مقاله

Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations

Mohamad Vakili ، Elida Romano ، Vahidreza Darugar ، Silvia Antonia Brandan

Journal of Molecular Modeling

مجلات خارجی 2021 November Volume (27) No (12)
مشاهده مقاله

Electronic transport behavior of 2-amino-4,5-bis(2,5-dimethylthiophen-3-yl)furan-3-carbonitrile (a diarylethene) as optical molecular switch: a first-principles approach

Nasrin Farbodnia ، Mohamad Vakili ، Ayoub Kanaani ، A. Reaza Nekoei

Theoretical Chemistry Accounts

مجلات خارجی 2021 September Volume (140) No (10)
مشاهده مقاله

Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration

Vahidreza Darugar ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Fadhil S. Kamounah

Journal of Molecular Graphics and Modelling

مجلات خارجی 2021 September Volume (107) No (1) Pages (107976-107982)
مشاهده مقاله

Conformational analysis, tautomerization, and vibrational spectra of methyl acetoacetate

Mozhgan Mahmoudi Aval ، Ali Nakhaei Pour ، Mohamad Vakili ، Sayyed Faramarz Tayyari

Journal of the Iranian Chemical Society

مجلات خارجی 2021 August Volume (19) No (4) Pages (1081-1094)
مشاهده مقاله

Molecular structure, intramolecular hydrogen bond strength, vibrational assignment, and spectroscopic insight of 4-phenylamino-3-penten-2-one and its derivatives: A theoretical and experimental study

Vahidreza Darugar ، Mohamad Vakili ، Sayyed Faramarz Tayyari

Journal of Molecular Liquids

مجلات خارجی 2021 July Volume (334) Pages (116035-116051)
مشاهده مقاله

Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects

Ramesh Kheirabadi ، Mohamad Vakili

Journal of the Iranian Chemical Society

مجلات خارجی 2021 June Volume (19) No (2) Pages (447-461)
مشاهده مقاله

Electronic transport behavior of 1-(Phenyldiazenyl)naphthalen-2-ol and its derivatives as optical molecular switches: A first-principles approach

Vahidreza Darugar ، Mohamad Vakili ، Sayyed Faramarz Tayyari

Optik

مجلات خارجی 2021 June Volume (236) Pages (166475-166483)
مشاهده مقاله

Voltage–current behavior of 4-phenylamino-3-penten-2-one and its derivatives molecular switch: a first-principles study

Vahidreza Darugar ، Mohamad Vakili ، Sayyed Faramarz Tayyari

Molecular Simulation

مجلات خارجی 2021 April Volume (47) No (9) Pages (730-737)
مشاهده مقاله

Isomerism, conformation, and structure of Bis(4,4-dimethyl-1-phenylpentane-1,3-dionato)copper(II); A theoretical and spectroscopy approach

Raheleh Afzali ، Mohamad Vakili ، Vahidreza Darugar

Journal of Molecular Structure

مجلات خارجی 2021 March Volume (1227) No (1) Pages (129711-129715)
مشاهده مقاله

Electronic transport properties of 2-nIiitro-4-(6-(4-nitrophenyl)-4-phenyl-1,3-diaza-bicyclo[3.1.0]hex-3-en-2-yl)phenol: A light-driven molecular switch

Ayoub Kanaani ، Mohamad Vakili ، Davood Ajloo

Optik

مجلات خارجی 2020 October Volume (219) Pages (165295-165302)
مشاهده مقاله

First-principles study of 2,6-dimethyl-3,5-heptanedione: a β-diketone molecular switch induced by hydrogen transfer

ZAHRA SAYYAR ، Mohamad Vakili ، Ayoub Kanaani ، Hossein Eshghi

Journal of Computational Electronics

مجلات خارجی 2020 September Volume (19) No (3) Pages (917-930)
مشاهده مقاله

Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones

Samira Soltani Ghoshkhaneh ، Mohamad Vakili ، Ali Reza Berenji ، Vahidreza Darugar ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2020 March Volume (1203) No (1) Pages (127440-127449)
مشاهده مقاله

Synthesis, structure, tautomerism, intramolecular hydrogen bond, and vibrational assignment of 3-nitroso-2,4-pentanedione: A theoretical and experimental approach

Mansoureh Rakhshanipour ، Homa Jalali ، Vahidreza Darugar ، Hossein Eshghi ، Mohamad Vakili

Vibrational Spectroscopy

مجلات خارجی 2020 January Volume (107) Pages (103036-103045)
مشاهده مقاله

Current–voltage characteristics of β-ketoenamines molecular switches induced by intramolecular hydrogen transfer

Seyedabdollah Seyedkatouli ، Mohamad Vakili

Indian Journal of Physics

مجلات خارجی 2019 December Volume (93) No (12) Pages (1527-1535)
مشاهده مقاله

Conformation, molecular structure, and vibrational assignment of bis(3,5-heptanedionato)copper(II)

Samira Soltani Ghoshkhaneh ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Ali Reza Berenji ، Vahidreza Darugar

Journal of Molecular Structure

مجلات خارجی 2019 December Volume (1197) Pages (443-449)
مشاهده مقاله

Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its NMe and N-Ph substitutions by experimental and theoretical methods

Seyedabdollah Seyedkatouli ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Poul Erik Hansen ، Fadhil S. Kamounah

Journal of Molecular Structure

مجلات خارجی 2019 May Volume (1184) No (1) Pages (233-245)
مشاهده مقاله

Quantum chemical study of the mechanism of the palladium-catalysed C−H acetoxylation of benzene

Nazanin Beizaei ، Sayyed Faramarz Tayyari ، Mohamad Vakili ، Safar Ali Beyramabadi

Progress In Reaction Kinetics And Mechanism

مجلات خارجی 2019 February Volume (44) No (1) Pages (55-66)
مشاهده مقاله

Evaluation of degradation in chemical compounds of wood in historical buildings using FT-IR and FT-Raman vibrational spectroscopy

Seyed Mahdi Moosavinejad ، Mehrab Madhoushi ، Mohamad Vakili ، Davood Rasouli

Maderas: Ciencia y Tecnologia

مجلات خارجی 2019 January
مشاهده مقاله

Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring of trifluorobenzoylacetone and 1-aryl-1,3-diketone malonates

Vahidreza Darugar ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Fadhil Suleiman Kamounah ، Raheleh Afzali

European Journal of Chemistry

مجلات خارجی 2018 September Volume (9) No (3) Pages (213-221)
مشاهده مقاله

Current–Voltage Characteristics of the Aziridine-Based Nano-Molecular Wires: a Light-Driven Molecular Switch

Ayoub Kanaani ، Mohamad Vakili ، Davood Ajloo ، Mehdi Nekoei

Chinese Physics Letters

مجلات خارجی 2018 April Volume (35) No (4) Pages (48501-48501)
مشاهده مقاله

Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study

Raheleh Afzali ، Mohamad Vakili ، Elham Boloori ، Sayyed Faramarz Tayyari ، ، Mahnoosh Hakimitabar ، Vahidreza Darugar

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2018 February Volume (190) No (1) Pages (15-22)
مشاهده مقاله

Molecular structure, spectroscopic studies, and coppereoxygen bond strength of a-methyl and a-ethyl derivatives of copper (II) acetylacetonate; Experimental and theoretical approach

Mohamad Vakili ، Sayyed Faramarz Tayyari ،

Journal of Molecular Structure

مجلات خارجی 2018 February Volume (1160) Pages (107-116)
مشاهده مقاله

Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate

Be Be Amineh Omidvar ، Sayyed Faramarz Tayyari ، Mohamad Vakili ،

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2018 January Volume (191) No (1) Pages (558-565)
مشاهده مقاله

Normal coordinate analysis of pyridine and its C2v 2H-isotopomers. A new approach

Be Be Amineh Omidvar ، Sayyed Faramarz Tayyari ، Mohamad Vakili ،

Journal of Molecular Structure

مجلات خارجی 2018 January Volume (1151) No (1) Pages (236-244)
مشاهده مقاله

Tautomerism, molecular structure, intramolecular hydrogen bond, and enol-enol equilibrium of para halo substituted 4,4,4-trifluoro-1- phenyl-1,3-butanedione; Experimental and theoretical studies

Vahidreza Darugar ، Mohamad Vakili ، ، Sayyed Faramarz Tayyari ،

Journal of Molecular Structure

مجلات خارجی 2017 December Volume (1150) Pages (427-437)
مشاهده مقاله

Correlation Between Parameters Related to Intramolecular Hydrogen Bond Strength and Hammett Constant in Para Substituted Benzoylacetone (A Theoretical and Experimental Study)

Vahidreza Darugar ، Mohamad Vakili ، Hossein Eshghi ، Raheleh Afzali

Oriental Journal of Chemistry

مجلات خارجی 2017 October Volume (33) No (5) Pages (2579-2590)
مشاهده مقاله

A first-principles study of aryloxyanthraquinone-based optical molecular switch

Mohamad Vakili ، ، Vahidreza Darugar ، ،

Chemical Physics Letters

مجلات خارجی 2017 October Volume (686) No (1) Pages (140-147)
مشاهده مقاله

Conventional and Unconventional Intramolecular Hydrogen Bonding in some Beta-diketones

Vahidreza Darugar ، Mohamad Vakili ، ، Sayyed Faramarz Tayyari

Organic Chemistry Research

مجلات خارجی 2017 October Volume (3) No (1) Pages (61-72)
مشاهده مقاله

Synthesis, Spectroscopic Investigations, and Computational Study of 4-((9,10-dioxo-9,10-dihydroanthracen-1-yl)oxy)-3- methoxybenzaldehyde1

، ، ، Mohamad Vakili ، ،

Optics and Spectroscopy

مجلات خارجی 2016 September Volume (121) No (2) Pages (246-252)
مشاهده مقاله

Molecular structure, spectroscopic investigations and computational study on the potential molecular switch of (E)-1-(4-(2- hydroxybenzylideneamino)phenyl)ethanone

، ، ، ، Mohamad Vakili ،

Molecular Physics

مجلات خارجی 2016 September Volume (114) No (13) Pages (2081-2097)
مشاهده مقاله

Synthesis, characterization, crystal structure determination and computational study of a new Cu(II) complex of bis [2-{(E)-[2- chloroethyl)imino]methyl}phenolato)] copper(II) Schiff base complex

، Mohamad Vakili ، ، ، ،

Journal of Molecular Structure

مجلات خارجی 2016 July Volume (1116) Pages (333-339)
مشاهده مقاله

Tautomeric stability, molecular structure, NBO, electronic and NMR analyses of salicylideneimino-ethylimino-pentan-2-one

، ، ، ، Mohamad Vakili

Journal of Molecular Structure

مجلات خارجی 2016 May Volume (1112) Pages (87-96)
مشاهده مقاله

(Vibrational spectra, normal coordinate analysis, and conformation of bis(a-cyanoacetylacetonato) Cu(II

Farzad Gandomi ، Mohamad Vakili ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2016 April Volume (1118) No (1) Pages (68-74)
مشاهده مقاله

Isomerism and Hydrogen Bonding in the Cis-enol Forms of 1-(n-pyridyl)butane-1,3-diones: A Theoretical Study

Raheleh Afzali ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Hossein Eshghi

Organic Chemistry Research

مجلات خارجی 2016 March Volume (2) No (1) Pages (43-56)
مشاهده مقاله

Synthesis, spectroscopic investigations and computational study of monomeric and dimeric structures of 2-methyl-4-quinolinol

، ، ، ، ، Mohamad Vakili

Research on Chemical Intermediates

مجلات خارجی 2016 January Volume (42) No (2) Pages (1237-1274)
مشاهده مقاله

Proton transfer in acetylacetone and its alpha-halo derivatives

Fatemeh Dolati ، Sayyed Faramarz Tayyari ، Mohamad Vakili ،

Physical Chemistry Chemical Physics

مجلات خارجی 2016 January Volume (18) No (1) Pages (344-350)
مشاهده مقاله

Normal coordinate analysis, hydrogen bonding, and conformation analysis of heptane-3,5-dione

Samira Soltani Ghoshkhaneh ، Mohamad Vakili ، Sayyed Faramarz Tayyari ،

Journal of Molecular Structure

مجلات خارجی 2016 January Volume (1103) No (1) Pages (35-44)
مشاهده مقاله

Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III

Fatemeh Dolati ، Sayyed Faramarz Tayyari ، Mohamad Vakili ،

Journal of Molecular Structure

مجلات خارجی 2016 January Volume (1103) No (1) Pages (1-8)
مشاهده مقاله

Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione

Fatemeh Dolati ، Sayyed Faramarz Tayyari ، Mohamad Vakili

Journal of Molecular Structure

مجلات خارجی 2015 August Volume (1094) Pages (264-273)
مشاهده مقاله

Vibrational spectra of tris(acetylacetonato)chromium(III)

Fatemeh Dolati ، Mohamad Vakili ، ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2015 July Volume (1099) No (1) Pages (340-347)
مشاهده مقاله

A facile one-pot synthesis of functionalized fused benzochromene derivatives via intramolecular Wittig reactions

Hossein Eshghi ، Mehdi Bakavoli ، Javad Abedini Torghabeh ، Mohammad Rahimizadeh ، Mohamad Vakili

Research on Chemical Intermediates

مجلات خارجی 2015 June Volume (41) No (6) Pages (3359-3366)
مشاهده مقاله

Conformation, molecular structure, and vibrational assignment of bis(2,2,6,6-tetramethylheptane-3,5-dionato)copper(II)

Mohamad Vakili ، Sayyed Faramarz Tayyari ، Raheleh Afzali

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2015 March Volume (136) Pages (1827-1833)
مشاهده مقاله

Vibrational assignment of calcium acetylacetonate

Sayyed Faramarz Tayyari ، Mohamad Vakili ،

Journal of Spectroscopy and Dynamics

مجلات خارجی 2015 February Volume (6) No (5) Pages (1-5)
مشاهده مقاله

Synthesis, molecular structure, spectroscopic investigations and computational studies of (E)-1-(4-(4-(diethylamino)-2- hydroxybenzylideneamino)phenyl)ethanone

، ، ، ، Mohamad Vakili ،

Structural Chemistry

مجلات خارجی 2015 February Volume (1) No (1) Pages (1-19)
مشاهده مقاله

A new copper(II) Schiff base complex containing asymmetrical tetradentate N2O2 Schiff base ligand: Synthesis, characterization, crystal structure and DFT study

، ، Mohamad Vakili ، ، ، ،

Journal of Molecular Structure

مجلات خارجی 2015 January Volume (1082) Pages (91-96)
مشاهده مقاله

Intramolecular hydrogen bonding and vibrational assignment of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione

Raheleh Afzali ، Mohamad Vakili ، ، Sayyed Faramarz Tayyari

Journal of Molecular Structure

مجلات خارجی 2014 December Volume (1076) Pages (262-271)
مشاهده مقاله

N-bromosuccinimide (NBS)-promoted, threecomponent synthesis of a,b-unsaturated isoxazol-5(4H)- ones, and spectroscopic investigation and computational study of 3-methyl-4-(thiophen-2-ylmethylene)isoxazol- 5(4H)-one

، ، ، ، Mohamad Vakili

Research on Chemical Intermediates

مجلات خارجی 2014 November
مشاهده مقاله

Very strong intramolecular hydrogen bonding of 1,2-dithenoylcyclopentadiene; DFT and spectroscopic studies

، Sayyed Faramarz Tayyari ، Mohamad Vakili

Journal of Molecular Structure

مجلات خارجی 2014 October Volume (1075) Pages (85-95)
مشاهده مقاله

Synthesis, characterization, crystal structure determination, computational study, and thermal decomposition into NiO nano-particles of a new NiIIL2 Schiff base complex (L = 2-{(E)-[2-chloroethyl)imino]methylphenolate)

، Mohamad Vakili ، ، ، ، ،

Journal of Molecular Structure

مجلات خارجی 2014 August Volume (1072) Pages (77-83)
مشاهده مقاله

Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane

، Mohamad Vakili ، Mahnoosh Hakimitabar ، Sayyed Faramarz Tayyari ، Raheleh Afzali ،

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2014 July Volume (128) Pages (272-279)
مشاهده مقاله

Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione

Raheleh Afzali ، Mohamad Vakili ، Sayyed Faramarz Tayyari ، Hossein Eshghi ،

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2014 January Volume (117) Pages (284-298)
مشاهده مقاله

Structure and vibrational assignment of bis(benzoylacetonato)copper(II)

Mohamad Vakili ، Sayyed Faramarz Tayyari ، Mahnoosh Hakimitabar ، ،

Journal of Molecular Structure

مجلات خارجی 2014 January Volume (1058) Pages (308-317)
مشاهده مقاله

Caesium iodide as an efficient catalyst for synthesis of N‑substituted azepines via tandem Michael addition and cyclisation under aqueous conditions

Hossein Eshghi ، Sara Momenkakeri ، Mostafa Gholizadeh ، Mohamad Vakili

Journal of Chemical Research

مجلات خارجی 2013 December Volume (37) No (12) Pages (724-726)
مشاهده مقاله

Structure and isomeric studies of 1,3-diaryl-H-benzo[f]chromene, catalyst effect or thermodynamic stability? An ab initio study

Mohamad Vakili ، Hossein Eshghi ، Meysam Raeisian ، Raheleh Afzali ، Ali Reza Berenji ،

Iranian Journal of Catalysis

مجلات خارجی 2013 September Volume (3) No (3) Pages (139-147)
مشاهده مقاله

Structure, vibrational assignment, and NMR spectroscopy of 1,2-bis (dichloroacetyl) cyclopentadiene

Sayyed Faramarz Tayyari ، Somayeh Laleh ، ، Mohamad Vakili

Journal of Molecular Structure

مجلات خارجی 2013 March Volume (1036) Pages (151-160)
مشاهده مقاله

Structure and vibrational analysis of methyl 3-amino-2-butenoate

Ali Reza Berenji ، Sayyed Faramarz Tayyari ، Mohammad Rahimizadeh ، Hossein Eshghi ، Mohamad Vakili ، Ali Shiri

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2013 February Volume (102) No (1) Pages (350-357)
مشاهده مقاله

Vibrational assignment and structure of N-phenylthiobenzamide - A DFT approach

Mohamad Vakili ، Raheleh Afzali ، Sayyed Faramarz Tayyari

Journal of Spectroscopy and Dynamics

مجلات خارجی 2013 January Volume (3) No (15) Pages (1-9)
مشاهده مقاله

Theoretical and spectroscopic studies on molecular structure and hydrogen bonding of 1,2-bis (monochloroacetyl) cyclopentadiene

Sayyed Faramarz Tayyari ، Somayeh Laleh ، ، Mohamad Vakili

Journal of Molecular Structure

مجلات خارجی 2013 January Volume (1038) Pages (177-187)
مشاهده مقاله

Silica supported Fe(HSO4)3 as an efficient, heterogeneous and recyclable catalyst for synthesis of -enaminones and -enamino esters

Hossein Eshghi ، Seyed Mohammad Seyedi ، Elham Safaei ، Mohamad Vakili ، Abolghasem Farhadipour ، Mohtaram Bayat Mokhtary

Journal of Molecular Catalysis A: Chemical

مجلات خارجی 2012 November Volume (363) No (127) Pages (430-436)
مشاهده مقاله

Conformation, molecular structure, and intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedione

Mohamad Vakili ، ، Sayyed Faramarz Tayyari ، ،

Journal of Molecular Structure

مجلات خارجی 2012 August Volume (1021) Pages (102-111)
مشاهده مقاله

Conformational stability, molecular structure, intramolecular hydrogen bonding, and vibrational spectra of 5,5-dimethylhexane-2,4-dione

Mohamad Vakili ، Sayyed Faramarz Tayyari ، ، ، ، ، Ali Reza Berenji ،

Journal of Molecular Structure

مجلات خارجی 2011 July Volume (998) No (1) Pages (99-109)
مشاهده مقاله

Efficient one-pot synthesis of 1,3-diaryl-3H-benzo[f]chromenes using ferric hydrogensulfate

Hossein Eshghi ، Gholamhossein Zohuri ، ، Mohamad Vakili

Chinese Chemical Letters

مجلات خارجی 2010 December Volume (21) No (12) Pages (1423-1426)
مشاهده مقاله

Structure, intramolecular hydrogen bonding, and vibrational spectraof 2,2,6,6-tetramethyl-3,5-heptanedione

Mohamad Vakili ، Sayyed Faramarz Tayyari ، ، ، ،

Journal of Molecular Structure

مجلات خارجی 2010 April Volume (970) No (1) Pages (160-170)
مشاهده مقاله

Conformation and vibrational spectra and assignment of 2-thenoyltrifluoroacetone

، Sayyed Faramarz Tayyari ، Mohamad Vakili ، ، ،

Journal of Molecular Structure

مجلات خارجی 2009 June Volume (932) No (127) Pages (112-122)
مشاهده مقاله

Vibrational assignment and structure of trifluorobenzoylacetone: A density functional theoretical study

Sayyed Faramarz Tayyari ، Mohamad Vakili ، ، ،

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

مجلات خارجی 2007 March Volume (66) Pages (626-636)
مشاهده مقاله

Vibrational assignment and structure of benzoylacetone: A density functional theoretical study

Sayyed Faramarz Tayyari ، Jalal ShakhsEmampour ، Mohamad Vakili ، Abdo Reza Nekoei ، Hossein Eshghi ، ،

Journal of Molecular Structure

مجلات خارجی 2006 August Volume (794) No (1) Pages (204-214)
مشاهده مقاله

Molecular Structure, and Intramolecular Hydrogen Bonding of Thenoyltrifluoroacetone

Sayyed Faramarz Tayyari ، ، Mohamad Vakili ، ،

Journal of Theoretical and Computational Chemistry

مجلات خارجی 2006 May Volume (5) No (3) Pages (647-664)
مشاهده مقاله

Validation of potential energy distribution by VEDA in vibrational assignment some of Copper (II) complexes with β-diketone ligands

Faezeh Ahmadi - Mohamad Vakili - وحیدرضا داروگر

23rd ICS Physical Chemistry Conference

کنفرانس های خارجی | 2022-01-12
مشاهده مقاله

Metal-ligand bond strength in symmetric of Copper (II) β-diketone complexes by UV and TD-DFT approaches

Faezeh Ahmadi - Mohamad Vakili - وحیدرضا داروگر

23rd ICS Physical Chemistry Conference

کنفرانس های خارجی | 2022-01-12
مشاهده مقاله

The I–V characteristics of methyl 3-oxobutanoate as molecular switch

Mohammad Eslahaliabadi - Mohamad Vakili - ایوب کنعانی

23rd ICS Physical Chemistry Conference

کنفرانس های خارجی | 2022-01-11
مشاهده مقاله

The effect of electrode materials on I–V characteristics behavior of 2,2,6,6-tetramethyl-3,5-heptanedione (a β-diketone) as molecular switch

Mohammad Eslahaliabadi - Mohamad Vakili - ایوب کنعانی - وحیدرضا داروگر

23rd ICS Physical Chemistry Conference

کنفرانس های خارجی | 2022-01-11
مشاهده مقاله

The investigation of the effect of N-glycans on the structure of Trametes versicolor laccase by Molecular dynamics simulation

Azam Roohi - Mohammad Reza Housaindokht - Mohamad Vakili

8thInternational E-congress on Nanosciences and Nanotechnology(ICNN 2021)

کنفرانس های خارجی | 2020-02-17
مشاهده مقاله

The theoretical conceptual investigation of intramolecular hydrogen bond strength in the O-H…O=C systems

Hadi Zare Yousefkhani - Mohamad Vakili

هشتمین کنفرانس شیمی محاسباتی

کنفرانس های خارجی | 2019-02-27
مشاهده مقاله

Estimating the intramolecular hydrogen bonds strength in the O-H…O=C systems using experimental 1H NMR results and QTAIM calculations

Hadi Zare Yousefkhani - Mohamad Vakili - Vahidreza Darugar

هشتمین کنفرانس شیمی محاسباتی

کنفرانس های خارجی | 2019-02-27
مشاهده مقاله

The I–V Characteristics of acetylacetone Nano-Molecular Wire Induced by Hydrogen Transfer

Amir Basiri - Mohamad Vakili -

اولین کنفرانس ملی شیمی کاربردی و نانوشیمی

کنفرانس های خارجی | 2018-11-15
مشاهده مقاله

DFT studies on the Structure and metal-ligand bond strength in bis (trifluoroacetylacetonato)copper (II

Mahnoosh Hakimitabar - Ramesh Kheirabadi - Mohamad Vakili

اولین کنفرانس ملی شیمی کاربردی و نانوشیمی

کنفرانس های خارجی | 2018-11-14
مشاهده مقاله

Tautomeric Equilibria Studies by UV-Vis Spectroscopy in β-diketones

Vahidreza Darugar - Mohamad Vakili - Sayyed Faramarz Tayyari

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Conformational stability, molecular structure, and intramolecular hydrogen bond of 2,2-dimethyl-5-amino-4-hexen-3-one

Mahmoud Bazrafshan - Mohamad Vakili

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Structure and vibrational analysis of copper (II) heptane-3,5-dione

- Samira Soltani Ghoshkhaneh - Mohamad Vakili - Sayyed Faramarz Tayyari

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Application of Hammett equation to intramolecular hydrogen bond strength in para-substituted phenyl ring in some β-diketones and schiff bases

Vahidreza Darugar - Mohamad Vakili - MONIR AFKANPOOR DEHBARZOUEI - Sayyed Faramarz Tayyari

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one, an experimental approach

Mohamad Vakili - Seyedabdollah Seyedkatouli

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

The I–V Characteristics of dimethyl 3,5-heptane Nano-Molecular Wire Induced by Hydrogen Transfer

ZAHRA SAYYAR - Mohamad Vakili - A. Kanaani - Hossein Eshghi

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

DFT studies on the structure and intramolecular hydrogen bond strength in 1, 2-dibenzoylcyclopentadiene

Mahnoosh Hakimitabar - R. Afzali - Mohamad Vakili

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Tautomerism, molecular structure, intramolecular hydrogen bond, and tautomery equilibrium of α-methyl and ethyl substituted 4-amino-3-penten-2-one; A theoretical study

Mohamad Vakili - Seyedabdollah Seyedkatouli

بیستمین کنگره شیمی ایران

کنفرانس های خارجی | 2018-07-17
مشاهده مقاله

Vibrational assignment and the effect of -methyl and ethyl substitutions on the Cu-O strength in bis-(3-alkylpentane-2,4-dionato)copper(II); An experimental and DFT study

Seyedabdollah Seyedkatouli - Mohamad Vakili - Sayyed Faramarz Tayyari

XIVth International Conference on Molecular Spectroscopy

کنفرانس های خارجی | 2017-09-03
مشاهده مقاله

Intramolecular hydrogen bond strength in three stable conformers of 2-(((1-phenylethyl) imino) methyl)phenol and itshalogen substitutions, as a Schiff base with chiral carbon; A theoretical study

MONIR AFKANPOOR DEHBARZOUEI - Vahidreza Darugar - G. Grivani - Mohamad Vakili

بیستمین کنفرانس شیمی فیزیک ایران

کنفرانس های خارجی | 2017-08-20
مشاهده مقاله

Conformational analysis of 2-(((1-phenylethyl)imino)methyl)phenol and its halogen substitutions, as a Schiff base with chiral carbon, A DFT study

MONIR AFKANPOOR DEHBARZOUEI - Mohamad Vakili - G. Grivani - Sayyed Faramarz Tayyari

بیستمین کنفرانس شیمی فیزیک ایران

کنفرانس های خارجی | 2017-08-20
مشاهده مقاله

Structure, vibrational analysisi and intramolecular hydrogen bond strength of some 4-amino-3-penten-2-one derivatives

Ali Reza Berenji - Sayyed Faramarz Tayyari - Mohamad Vakili - Samira Soltani Ghoshkhaneh

9th Euro-Mediterranean Symposium on LIBS / Pisa

کنفرانس های خارجی | 2017-06-11
مشاهده مقاله

The Cu-O strength of Copper (II) X-benzoylacetonate, X=Cland F; by DFT calculations

Vahidreza Darugar - Mohamad Vakili - راهله افضلی

هجدهمین کنفرانس شیمی معدنی ایران

کنفرانس های خارجی | 2017-03-07
مشاهده مقاله

Structure and geometry of Tetrakis(thiourea) platinum(II) and its guanine substituted complexes, Anticancer compounds

Vahidreza Darugar - Fatemeh Dolati - Sayyed Faramarz Tayyari - Mohamad Vakili

هجدهمین کنفرانس شیمی معدنی ایران

کنفرانس های خارجی | 2017-03-07
مشاهده مقاله

Conformational stability, and intramolecular hydrogen bonding of Ribose; A DFT calculations

- - - Vahidreza Darugar - Mohamad Vakili - Mohammad Reza Housaindokht

هجدهمین کنفرانس شیمی معدنی ایران

کنفرانس های خارجی | 2017-03-07
مشاهده مقاله

Tautomerization and intramolecular hydrogen bond strength of 1-(4- Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione by quantum calculations and experimental spectroscopy

Vahidreza Darugar - Mohamad Vakili - راهله افضلی

نوزدهمین کنگره شیمی ایران

کنفرانس های خارجی | 2017-02-20
مشاهده مقاله

Conformational Analysis and Intramolecular Hydrogen Bonding in 4-Butylmino-3-Penten-2-One

علیرضا برنجی - Samira Soltani Ghoshkhaneh - Mohamad Vakili

نوزدهمین کنگره شیمی ایران

کنفرانس های خارجی | 2017-02-20
مشاهده مقاله

The effect of different Substitutions on the equilibrium constant of 1-Phenyl-1,3- butanedione

Mohamad Vakili - Vahidreza Darugar

نوزدهمین کنگره شیمی ایران

کنفرانس های خارجی | 2017-02-20
مشاهده مقاله

Structure and hydrogen bond strength of the enol form of Furoylacethylacetone

Mahnoosh Hakimitabar - Mohamad Vakili - راهله افضلی

نوزدهمین کنگره شیمی ایران

کنفرانس های خارجی | 2017-02-20
مشاهده مقاله

NORMAL COORDINATE ANALYSIS AND VIBRATIONAL ASSIGNMENTS FOR PYRIDINE AND ITS DEUTERATED DERIVATIVES

Be Be Amineh Omidvar - Mohamad Vakili - Sayyed Faramarz Tayyari

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

The effect of unconventional hydrogen bonding in the stability of keto forms of 2-Bromo-1,3-diphenylpropane-1,3-dione

Mohamad Vakili

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

CONFORMATIONAL ANALYSIS AND INTRAMOLECULAR HYDROGEN BONDING IN HEPTANE-3-AMINO-5-ONE

Samira Soltani Ghoshkhaneh - Mohamad Vakili - Sayyed Faramarz Tayyari - Ali Reza Berenji

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

Study of the intramolecular hydrogen bonding of some α-cyano-1,3–diketones by using AIM and NBO calculations

Mohamad Vakili - Raheleh Afzali - Mahnoosh Hakimitabar

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

PROTON TUNNELING IN PYRIDINE-PYRIDININIUM AND ITS 2-AMINO AND 2-AMINO-4-METHYL DERIVATIVES COMPLEXES

Be Be Amineh Omidvar - Mohamad Vakili - Sayyed Faramarz Tayyari

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

Theoretical investigation of 1,3-Di(n-pyridyl)-1,3-propanediones

Mohamad Vakili - Raheleh Afzali

18th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2016-03-05
مشاهده مقاله

Tautomerization in the some of α-bromo-β-Diketones

Mohamad Vakili

13YOUNGCHEM

کنفرانس های خارجی | 2015-10-07
مشاهده مقاله

Vibrational spectra of Ocimum basilicum L. seed gum

Ali Reza Berenji - Elnaz Milani - Reza Karazhian - Arash Koocheki - Mohsen Samiee - Mohamad Vakili

1st International Conference on Natural Food Hydrocolloids, Mashhad, Iran,

کنفرانس های خارجی | 2014-10-23
مشاهده مقاله

Adsorption of CCl4 on Armchair Single-Walled Carbon Nanotubes and Graphene Sheet

Fatemeh Dolati - Mohamad Vakili - Z. Dolati - M. Mahmoodi - S. Jodeir

17th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2014-10-21
مشاهده مقاله

Conformational analysis and intramolecular hydrogen bond strength of methyl 3-aminocrotonate

Ali Reza Berenji - Sayyed Faramarz Tayyari - Mohamad Vakili

16th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2013-10-29
مشاهده مقاله

Structure And Vibrational Analysis Of Ethyl 3-Amino-2-Butenoate

Ali Reza Berenji - Sayyed Faramarz Tayyari - Mohamad Vakili - Mina Jamialahmadi

44th World Chemistry Congress

کنفرانس های خارجی | 2013-08-11
مشاهده مقاله

Metal-Ligand Bond Vibrations In Alkaline Earth Metal Acetylacetonates

F. Tayyari - S. F. Tayyari - T. Bakhshi - Mohamad Vakili - Ali Reza Berenji

44th World Chemistry Congress

کنفرانس های خارجی | 2013-08-11
مشاهده مقاله

Synthesis, structure, UV-visible spectrum, and formation constant of bis (3-amino-1-phenyl-2-buten-1-onato)copper (II) and comparison with bis (4-aminopent-3-en-2-onato) copper (II

Mina Jamialahmadi - Sayyed Faramarz Tayyari - Mohamad Vakili - Ali Reza Berenji

19th Iranian Seminar of Analytical Chemistry

کنفرانس های خارجی | 2013-02-26
مشاهده مقاله

The formation constants determination of α-formyl acetylacetonate complex by pH-metric titration

Mahnoosh Hakimitabar - - - - Raheleh Afzali - Mohamad Vakili - Sayyed Faramarz Tayyari - Mina Jamialahmadi

19th Iranian Seminar of Analytical Chemistry

کنفرانس های خارجی | 2013-02-26
مشاهده مقاله

Formation constant calculations comparison with experimental researches on ferrocene-containing β-diketones

Mohamad Vakili - Fatemeh Dolati - Mahmood Amini - E.Fatehyan

19th iranian seminar of analytical chemistry

کنفرانس های خارجی | 2013-02-26
مشاهده مقاله

The theoretical and experimental 1H NMR study of some beta-diketones (A DFT calculation

Raheleh Afzali - Mohamad Vakili - Hossein Eshghi - Mahnoosh Hakimitabar - Sayyed Faramarz Tayyari

19th Iranian Seminar of Analytical Chemistry

کنفرانس های خارجی | 2013-02-26
مشاهده مقاله

Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions

Mohamad Vakili - Mohtaram Bayat Mokhtary - Raheleh Afzali

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

The effect of phenyl substitutions on the structure and metal- ligand bond strength of copper acetylacetonate. A DFT study.

Mohamad Vakili - Mahnoosh Hakimitabar - Ali Reza Berenji - Raheleh Afzali

15th Iranian Physical Chemistry Seminar

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

Vibrational assignment and structure of Vanadyl acetoacetonate

Mohamad Vakili - Fatemeh Bagheryan - عبدالرضا نکوئی

15th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2012-09-03
مشاهده مقاله

The structure study of 1,3-diaryl-3H-benzo[f]chromenes

Meysam Raeisian - Mohamad Vakili - Hossein Eshghi - H. Behzadi

18th Iranian Seminar of Organic Chemistry

کنفرانس های خارجی | 2012-03-07
مشاهده مقاله

KETO CONTENT AND INTRAMOLECULAR HYDROGEN BOND IN SOME β-DICARBONYLS

Mohamad Vakili

14th Asian Chemical Congress 2011

کنفرانس های خارجی | 2011-09-05
مشاهده مقاله

INTRAMOLECULAR HYDROGEN BONDING AND KETO CONTENT IN α-HALO SUBSTITUTED 1,1,1-TRIFLUORO -5,5-DIMETHYL-2,4-HEXANDIONE

Mohamad Vakili

14th Asian Chemical Congress 2011

کنفرانس های خارجی | 2011-09-05
مشاهده مقاله

Structure and conformation of lidocaine and Prilocaine. A DFT study

Mohamad Vakili - Fatemeh Dolati - Sayyed Faramarz Tayyari - Omid Rajabi - Roshanak Salari

15th Iranian Chemistry Congress

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

Structure of 2,4,5-triphenyl-1H-Imidazole and the substitution effect of F, Cl, and OH groups in para position of 2-Ph ring; A DFT study

Mohamad Vakili - A-R. Nekoei - B. Maleki

15th Iranian Chemistry Congress

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

Structure and vibrational spectra of methyl 3-(methylamino)-2-Butenoate. A density functional theoretical study

Ali Reza Berenji - Sayyed Faramarz Tayyari - Mohammad Rahimizadeh - Hossein Eshghi - Mohamad Vakili - Ali Shiri

15th Iranian Chemistry Congress

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

IR and Raman spectrophotometric studies on the effects of pH and temperature on structural stability of human serum albumin(HSA)

Fatemeh Dolati - Roshanak Salari - Sayyed Faramarz Tayyari - Mohamad Vakili - Omid Rajabi

15th Iranian Chemistry Congress

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

Structure and vibrational assignment of bis(benzoylacetone)copper(II)

Mohamad Vakili - Mahnoosh Hakimitabar - Mina Jamialahmadi - Ali Reza Berenji

15th Iranian Chemistry Congress

کنفرانس های خارجی | 2011-09-04
مشاهده مقاله

Molecular structure and intramolecular hydrogen bonding of 1,1,1- trifluoro-5,5-dimethyl-2,4-hexanedione. A DFT study (Part I)

N. Sanati - A-R. Nekoei - Mohamad Vakili - A. Kanaani

14th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2011-02-28
مشاهده مقاله

Resonance assisted intramolecular hydrogen bonding of 6-hydroxy-6-(2-thienyl)-2-thenoylfulvene

A-R. Nekoei - Mohamad Vakili - Sayyed Faramarz Tayyari - S. Salemi

14th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2011-02-25
مشاهده مقاله

Molecular structure and intramolecular hydrogen bonding of Heptane-3,5-dione. A DFT study

A. Kanaani - Z. Hajian - A-R. Nekoei - Mohamad Vakili

14th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2011-02-25
مشاهده مقاله

Intramolecular hydrogen bonding of 1,1,1-trifluoro-5,5-dimethyl-2,4- hexanedione. A vibrational spectroscopic study (Part II)

Mohamad Vakili - A-R. Nekoei - A. Kanaani - Sayyed Faramarz Tayyari

14th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2011-02-25
مشاهده مقاله

N-Bromosuccinimide or 1,3-di(chloro or bromo)-5,5-dimethylhydantoin: as a mild and efficient catalyst for the synthesis of 2-arylbenzothiazoles and 2,4,5-triaryl-lH-imidazoles from aromatic aldehydes

14- B. Maleki - Mohamad Vakili - H. Salehabadi - H. K. Shirvan

17th Iranian Seminar of Organic Chemistry

کنفرانس های خارجی | 2010-10-13
مشاهده مقاله

Effect of t-butyl substitutions in β position on the enol-keto equilibrium and intramolecular hydrogen bond strength of β-dicarbonyl: A vibrational spectroscopy and DFT study

Mohamad Vakili - S. Salemi

Young Chem 2010

کنفرانس های خارجی | 2010-10-05
مشاهده مقاله

Cis-enol conformational stability, Molecular structure, and intramolecular hydrogen bonding of 5,5-Dimethyl hexane-2,4 dione. A density functional theoretical study

Mohamad Vakili

13th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2010-04-12
مشاهده مقاله

Cis-enol conformers and intramolecular hydrogen bond strength of 2,6-Dimethyl-3,5-heptanedione

Mohamad Vakili

13th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2010-04-12
مشاهده مقاله

Intramolecular hydrogen bonding and vibrational spectra of 2,2,6,6-tetramethyl-3,5-heptanedione

Mohamad Vakili

13th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2010-04-12
مشاهده مقاله

Conformation, Structure, Intramolecular H-bonding, and Vibrational Assignment of 1-(2-thienyl)-4,4,4-trifluorobutane-1,3-dione

Mohamad Vakili

13th Iranian Physical Chemistry Conference

کنفرانس های خارجی | 2010-04-12
مشاهده مقاله

Comparision the intramolecular hydrogen bond of BA and DBM with AA.

Mohamad Vakili - A-R. Nekoei - S. F. Tayyari

9th Iranian Physical Chemistry Seminar

کنفرانس های خارجی | 2006-06-13
مشاهده مقاله

مطالعه نظری و تجربی تاتومری مشتقات هالوژنه پارا تری فلوئوروبنزوئیل استون به کمک نظریه تابعی - چگالی و طیف سنجی ارتعاشی

وحیدرضا داروگر - محمد وکیلی - سیدفرامرز طیاری

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | مرداد ۱۳۹۸ دوره (9) شماره (29) صفحات (53-71)
مشاهده مقاله

تاتومری و قدرت پیوند هیدروژنی درون مولکولی پارا کلر بنزوئیل استون بوسیله محاسبات کوانتومی - و نتایج طیف سنجی

وحیدرضا داروگر - محمد وکیلی - حسین عشقی

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | آبان ۱۳۹۶ دوره (7) شماره (22) صفحات (27-34)
مشاهده مقاله

ارزیابی غیرمخرب ترکیبات شیمیایی چوب های مورد استفاده در بناهای تاریخی منطقه گرگان با استفاده از طیف سنجیFT-IR

سید مهدی موسوی نژاد - محراب مدهوشی - داود رسولی - محمد وکیلی

پژوهش های حفاظت آب و خاک

مجلات داخلی | بهمن ۱۳۹۵ دوره (23) شماره (1) صفحات (313-327)
مشاهده مقاله

ﻣﻄﺎﻟﻌﺎت ﻧﻈﺮی روی اﺛﺮ ﺟﺎﻧﺸﯿﻨﯽ ﻫﺎﻟﻮژن در ﻣﻮﻗﻌﯿﺖ آﻟﻔﺎی ﺗﺮﮐﯿﺐ1و1و1-ﺗﺮیﻓﻠﻮرو-5و5-دیﻣﺘﯿﻞ- 2و4-ﻫﮕﺰان دی اُن

عبدالرضا نکویی - نسرین صنعتی - محمد وکیلی

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | آبان ۱۳۹۰ دوره (3) شماره (1) صفحات (45-51)
مشاهده مقاله

اثر استخلاف CF3 در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β- دی کتون ها به کمک نظریه تابعی چگال (DFT)

عبدالرضا نکوئی - محمد وکیلی

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | فروردین ۱۳۹۰ دوره (2) شماره (1) صفحات (29-34)
مشاهده مقاله

اثر استخلاف گروه فنیل در موقعیت β بر قدرت پیوند هیدروژنی درون مولکولی β دی کتون ها به کمک نظریه تابعی چگال (DFT)

محمد وکیلی - عبدالرضا نکوئی - فرخزاد محمدی زنوز

شیمی کوانتومی و اسپکتروسکوپی

مجلات داخلی | فروردین ۱۳۹۰ دوره (1) شماره (1) صفحات (27-32)
مشاهده مقاله

ICT در آموزش (درس شیمی و آزمایشگاه)

زهرا سیار - محمد وکیلی

نهمین کنفرانس آموزش شیمی ایران

کنفرانس های داخلی | ۱۳۹۵/۰۶/۰۶
مشاهده مقاله

کاربرد طیف سنجی ارتعاشی (Raman-Mid IR) در شناسایی گونه های سوزنی برگ و پهنبرگ

سید مهدی موسوی نژاد - محراب مدهوشی - محمد وکیلی - داود رسولی

همایش علمی پژوهشی کشاورزی، مهندسسی ژنتیک و گیاه پزشکی ایران

کنفرانس های داخلی | ۱۳۹۵/۰۵/۲۵
مشاهده مقاله

The effect of bromination and media on the hydrogen bond strength of pyridinium perchlorate

بی بی امینه امیدوار - سیدفرامرز طیاری - محمد وکیلی

دوازدهمین همایش ملی شیمی پیام نور

کنفرانس های داخلی | ۱۳۹۴/۰۲/۲۳
مشاهده مقاله

Nature of substituent effects on intramolecular hydrogen bonding of 3-amino-1- phenyl-2-buten-1-one derivatives by density functional theory (DFT) calculations and NMR spectroscopy

راهله افضلی - محمد وکیلی

دوازدهمین همایش ملی شیمی پیام نور

کنفرانس های داخلی | ۱۳۹۴/۰۲/۲۳
مشاهده مقاله

Theoretical and spectroscopic study on intramolecular hydrogen bonding of 4- amino-3-penten-2-one derivatives

راهله افضلی - محمد وکیلی

دوازدهمین همایش ملی شیمی پیام نور

کنفرانس های داخلی | ۱۳۹۴/۰۲/۲۳
مشاهده مقاله

بررسی ساختار وطیف ارتعاشی نظری مس (II)دی بنزوئیل متان با استفاده ازنظریه تابعی چگال

مهنوش حکیمی تبار - محمد وکیلی - سیدفرامرز طیاری - مینا جامی الاحمدی - علی رضا برنجی

Ist National Chemistry Conference

کنفرانس های داخلی | ۱۳۹۰/۰۹/۰۲
مشاهده مقاله

بررسی ساختارو وقذرت پیونذ فلز با لیگانذ کمپلکس آلومینیوم تری فلوئورو استیل استونات با استفاده از نظریه DFT

الهام بلوری - محمد وکیلی - سیدفرامرز طیاری

Ist National Chemistry Conference

کنفرانس های داخلی | ۱۳۹۰/۰۹/۰۲