رضا غیاثی | سیویلیکا

دکتر رضا غیاثی

استاد دانشگاه آزاد اسلامی

چاپ

معرفی

استان
تهران
شهر
تهران

سمتهای علمی و اجرایی رضا غیاثی در مجلات و ژورنال‌های معتبر ایران

  • فصلنامه شیمی نوین (سردبیر)
  • فصلنامه شیمی آلی-فلزی کاربردی (هیات تحریریه)

مقالات بین المللی رضا غیاثی

"Assessment of substituent effects on the parameters of 35 Cl nuclear quadrupole resonance in para ‐substituted benzene‐sulphenyl chloride via quantum chemical calculations", Wiley, (2019), Vol 66, No 12: 1577-1582
"SOLVENT INFLUENCE ON THE STABILITY AND PROPERTIES OF Si4H4 ISOMERS BY COMPUTATIONAL METHODS", SciELO Agencia Nacional de Investigacion y Desarrollo (ANID), (2019), Vol 64, No 1: 4360-4364
"Quantum Chemical Predictions of Substituent Effect on the Stability, Electronic Structure, and 14N NQR Parameters of a Ruthenium Azirinyl Complex", Pleiades Publishing Ltd, (2019), Vol 93, No 5: 880-888
"Computational Investigation of the Pseudo Jahn–Teller Effect on the Structure and Chemical Properties of Perhaloethene Anions", Pleiades Publishing Ltd, (2019), Vol 60, No 5: 736-745
"Stability, Electronic, and Structural Features of the Conformers of 2-Methyl-1,3,2-Diheterophosphinane 2-Oxide (Heteroatom = O, S, Se): DFT and NBO Investigations", Pleiades Publishing Ltd, (2019), Vol 60, No 5: 746-754
"Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study", Pleiades Publishing Ltd, (2019), Vol 60, No 4: 547-555
"A Computational Approach for Hydrolysis of the Third-Generation Anticancer Drug: Trans-Platinum(Ii) Complex of 3-Aminoflavone", Pleiades Publishing Ltd, (2018), Vol 59, No 8: 1791-1796
"Influences of the substituents on the Cr=C bond in [(OC)5Cr=C(OEt)-para-C6H4X] complexes: quantum Theory of Atoms in Molecules, Energy Decomposition Analysis, and Interacting Quantum Atoms", Springer Science and Business Media LLC, (2018), Vol 149, No 12: 2167-2174
"Theoretical Study of NO Linkage Isomers in a Rhenacarborane Nitrosyl Complex", Pleiades Publishing Ltd, (2018), Vol 92, No 12: 2518-2523
"Pseudo-Jahn–Teller effect in Si4X4 (X = F, Cl, Br, I) molecules: a theoretical investigation", Informa UK Limited, (2018), Vol 117, No 5: 567-574
"Thermodynamic and kinetic studies of the retro-Diels-Alder reaction of 1,4-cyclohexadiene, 4H-pyran 4H-thiopyran, 1,4-dioxine, and 1,4-dithiine: a theoretical investigation", Springer Science and Business Media LLC, (2018), Vol 30, No 3: 877-885
"Theoretical investigation of vinylogous anomeric effect on 4-halo-4-H-pyran and 4-halo-4-H-thiopyran molecules", Informa UK Limited, (2018), Vol 39, No 6: 665-673
"Analysis of the Interaction Between the C20 Cage and cis-Ptcl2(NH3)2: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies", Pleiades Publishing Ltd, (2018), Vol 59, No 5: 1044-1051
"Theoretical Study of the Solvent Effect on the Electronic and Vibrational Properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)] Linkage Isomers", Pleiades Publishing Ltd, (2018), Vol 59, No 5: 1058-1066
"Theoretical Studies of Solvent Effect on the Structure, Вonding, and Spectroscopic Рroperties (IR, NMR) in the cis-[Pt(PH3)2(NCS)2] and [Pt(PH3)2(SCN)2] Linkage Isomers", Pleiades Publishing Ltd, (2018), Vol 92, No 9: 1748-1756
"Solvent effect on isomerization reaction of [(η5-C5H5)(CO)2Re C(C2HB10H10)(C6H5)] carbene complex to [(η5-C5H5)(CO)(COC2HB10H10)Re CC6H5] carbyne complex: A computational investigation", Elsevier BV, (2018), Vol 265, No : 164-171
"Exploration of Solvent Effects on the Spectroscopic Properties (Ir and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2 Carbyne Complex", Pleiades Publishing Ltd, (2018), Vol 59, No 5: 1052-1057
"A quantum chemical investigation of the influence of solvent polarity on the structural, electronic, spectroscopic properties and hyperpolarizability in Molybdenum Silylidyne complex CpMo(CO)2( Si Ph)", Elsevier BV, (2018), Vol 264, No : 616-620
"Influence of Solvent and Electric Field on the Structure and IR, 31P NMR Spectroscopic Properties of a Titanocene–Benzyne Complex", Springer Science and Business Media LLC, (2018), Vol 85, No 3: 526-534
"Theoretical Study of Substituent Effect in Aryl Group Migration in (para-C6H4X)Mn(CO)5 Complexes", Pleiades Publishing Ltd, (2018), Vol 63, No 7: 906-910
"Borepine: A Density Functional Approach toward Structural Features and Properties", Pleiades Publishing Ltd, (2018), Vol 63, No 6: 800-808
"Theoretical Study of Tautomerization in 1,5-Dimethyl-6-Thioxo-1,3,5-Triazinane-2,4-Dione", Pleiades Publishing Ltd, (2018), Vol 59, No 3: 541-549
"Theoretical Study of the Arene Ligand Effect on the Structure and Properties of Cr(CO)3(Arene) Complexes (Arene = Benzene, Biphenyl, Triphenly, Tetraphenyl)", Pleiades Publishing Ltd, (2018), Vol 59, No 8: 1784-1790
"Solvent Effects on the Structure And Spectroscopic Properties of the Second-Generation Anticancer Drug Carboplatin: A Theoretical Insight", Pleiades Publishing Ltd, (2018), Vol 59, No 1: 245-251
"Theoretical approach to the molecular structure, chemical reactivity, molecular orbital analysis, spectroscopic properties (IR, UV, NMR), and NBO analysis of deferiprone", Pleiades Publishing Ltd, (2017), Vol 58, No 7: 1307-1317
"Computational study of osmabenzyne: The solvent effects on the structure and spectroscopic properties (IR, NMR)", Pleiades Publishing Ltd, (2017), Vol 58, No 7: 1324-1331
"Substituent Effect on the Stability and 14 N NQR Parameters of Linkage Isomers of Nitriles in a Rhodium Half-Sandwich Metallacycle: A Theoretical Study", Wiley, (2017), Vol 65, No 4: 416-423
"Substituent Effect on the Electronic Properties and Nature of the W≡C Bond in trans -Cl(OC)(H3 P)3 W(≡C-para -C6 H4 X) (X = H, F, SiH3 , CN, NO2 , SiMe3 , CMe3 , NH2 , NMe2 ) Complexes: A Computational Quantum Chemistry Study
"Insight into the solvent effect on the structure, IR-spectrum, and hyperpolarizability of CpMe2Ta(benzyne), a mononuclear Tantalum–benzyne complex", Pleiades Publishing Ltd, (2017), Vol 62, No 10: 1371-1378
"Theoretical exploring of the substituent effect on the NQR and NMR parameters in a platinum-based anticancer drug, trans-(NHC) PtI2 (para-NC5H4X) complex", Springer Science and Business Media LLC, (2017), Vol 29, No 2: 435-440
"The Analysis of Os≡C Bond and Electric Field Influence on the Properties in the Osmium Carbyne Complex OsCl3 (≡CCH2 CMe3 )(PH3 )2 : A Theoretical Insight", Wiley, (2017), Vol 64, No 6: 651-657
"A Computational Understanding of Solvent Effect on the Structure, Electronic, Thermochemical, and Spectroscopic Properties of Ni(η2-C6H4)(H2PCH2CH2PH2) Complex", Wiley, (2017), Vol 64, No 8: 925-933
"A Computational Approach to the Effects of Solvent on the Structural, Electronic, Spectroscopic (195 Pt NMR and IR), and Thermochemical Properties of a Third-Generation Anticancer Drug: Trans -Platinum(II) Complex of 3-Aminoflavone", Wiley, (2017), Vol 64, No 8: 934-939
"Theoretical study of solvent effect on the ligand field parameter in [M(CO)6] n complexes (M = V–, Cr, Mn+, Fe2+)", Pleiades Publishing Ltd, (2017), Vol 91, No 6: 1026-1036
"THEORETICAL STUDY OF THE PH3-ASSISTED MIGRATION OF A COORDINATED ARYL GROUP TO A COORDINATED CO IN THE COMPLEXES RhCpI(CO)(p-XC6H4)", SciELO Agencia Nacional de Investigacion y Desarrollo (ANID), (2017), Vol 62, No 2: 3454-3461
"Theoretical Study of Substituent Effects on Geometric and Spectroscopic Parameters (IR,13C,29Si NMR) and Energy Decomposition Analysis of the Bonding in Molybdenum Silylidyne Complexes CpMo(CO)2(≡Si-para-C6H4X)", Wiley, (2017), Vol 64, No 5: 522-530
"Evolution of the interaction between C20cage and Cr(CO)5: A solvent effect, QTAIM and EDA investigation", World Scientific Pub Co Pte Ltd, (2017), Vol 16, No 01: 1750007
"The Analysis of Electronic Structures, NBO, EDA, and QTAIM of trans -(H3 P)2 (η2 -BH4 )W(≡C-para -C6 H4 X)(CO) Complexes", Wiley, (2017), Vol 64, No 4: 369-378
"Solvent Effects on Stability, Electronic Structure, and 14N NQR Parameters of Fe(CO)4py Isomers", Springer Science and Business Media LLC, (2017), Vol 84, No 1: 148-155
"Quantum Chemical Study of the Solvent Effect on the Anticancer Active Molecule of Iproplatin: Structural, Electronic, and Spectroscopic Properties (IR, 1H NMR, UV)", Springer Science and Business Media LLC, (2017), Vol 83, No 6: 909-916
"A theoretical study of the solvent effect on the interaction of C20 and N2H2", Pleiades Publishing Ltd, (2017), Vol 58, No 1: 30-37
"A highly efficient CuI nanoparticles-catalyzed synthesis of tetrahydrochromenediones and dihydropyrano[c]chromenediones under grinding", Walter de Gruyter GmbH, (2016), Vol 71, No 7: 777-782
"Substituent effect on the structure and properties of dialumene", Pleiades Publishing Ltd, (2016), Vol 61, No 8: 985-992
"SOLVENT EFFECT ON THE STRUCTURAL, ELECTRONIC, SPECTRA PROPERTIES AND FIRST HYPERPOLARIZABILITY OF W(CO)5L, L=(4-PYRIDYLMETHYLENE)MALONONITRILE", SciELO Agencia Nacional de Investigacion y Desarrollo (ANID), (2016), Vol 61, No 2: 2921-2928
"Solvent effect on the linkage isomerism in [Fe(CO)4(NCS)]−and [Fe(CO)4(SCN)]−anions: A theoretical investigation", Informa UK Limited, (2016), Vol 55, No 4: 444-456
"Computational investigation of solvent effect on the structure, spectroscopic properties (13C, 1H NMR and IR, UV), NLO properties and HOMO–LUMO analysis of Ru(NHC)2Cl2(=CH-p-C6H5) complex", Informa UK Limited, (2016), Vol 55, No 4: 421-431
"Solvent and substitution effects on the structure and properties of a half-sandwich complex of vanadium with a terminal borylene ligand: Theoretical study", Pleiades Publishing Ltd, (2016), Vol 61, No 3: 327-333
"Solvent effect on the stability and properties of platinum-substituted borirene and boryl isomers: The polarizable continuum model", Pleiades Publishing Ltd, (2016), Vol 90, No 11: 2211-2216
"DFT and TD-DFT study of benzene and borazines containing chromophores for DSSC materials", Pleiades Publishing Ltd, (2016), Vol 61, No 10: 1267-1273
"Substituent and solvent effects on geometric and electronic structure of C5H5Ir(PH3)3 iridabenzene: A theoretical insight", Pleiades Publishing Ltd, (2015), Vol 56, No 8: 1483-1494
"Theoretical view on structure, chemical reactivity, aromaticity and 14N NQR parameters of iridapyridine isomers", Pleiades Publishing Ltd, (2015), Vol 56, No 8: 1458-1467
"UNDERSTANDING THE STRUCTURE, SUBSTITUENT EFFECT, NATURAL BOND ANALYSIS AND AROMATICITY OF OSMABENZYNE: A DFT STUDY", SciELO Agencia Nacional de Investigacion y Desarrollo (ANID), (2015), Vol 60, No 4: 2740-2746
"Theoretical study of solvent and substituent effects on the structure, 14N NQR and electronic spectra of [Cr(CO)5py]", Pleiades Publishing Ltd, (2015), Vol 56, No 8: 1474-1482
"Quantum Mechanical Study of Substituent Dependence on the Structure, Spectroscopic (13C,1H NMR and UV), NBO, Hyperpolarizability and HOMOLUMO Analysis of Ru(NHC)2Cl2(CH-p-C6H4X) Complexes", Wiley, (2015), Vol 62, No 10: 898-905
"Band Gap Energies and Photocatalytic Properties of CdS and Ag/CdS Nanoparticles for Azo Dye Degradation", Wiley, (2015), Vol 39, No 1: 149-157
"Structural, energetic and electrical properties of encapsulation of penicillamine drug into the CNTs based on vdW-DF perspective", Elsevier BV, (2015), Vol 72, No : 120-127
"Theoretical study of the solvent and substitution effects on the structure and properties of iridatropylium cations: [C7H6Ir(PX3)3]+; X = H, Me, F", Pleiades Publishing Ltd, (2014), Vol 89, No 2: 250-255
"Spectroscopic studies and molecular orbital analysis on platinanaphthalenes and ring-fused B-N platinanaphthalenes", Pleiades Publishing Ltd, (2014), Vol 88, No 4: 616-624
"Tautomeric transformations and reactivity of isoindole and sila-indole: A computational study", World Scientific Pub Co Pte Lt, (2014), Vol 13, No 05: 1450041
"Quantum chemical predictions of structural, bonding and spectroscopic properties of ruthenanaphthalenes and ring-fused B–N ruthenabenzenes", World Scientific Pub Co Pte Lt, (2014), Vol 13, No 02: 1450011
"Borazine-based conjugated derivatives: Structural, electronic, and optical properties", Pleiades Publishing Ltd, (2014), Vol 88, No 6: 984-994
"A density functional approach toward structural features and properties of C20…N2X2 (X = H, F, Cl, Br, Me) molecules", World Scientific Pub Co Pte Lt, (2014), Vol 13, No 04: 1450023
"Theoretical study of structure, bonding, and aromaticity of borazyne and B-substituted borazynes", Pleiades Publishing Ltd, (2013), Vol 87, No 13: 2231-2238
"Theoretical Study of Solvent Effects on the Cis-to-Trans Isomerization of [Pd(C6Cl2F3)I(PH3)2]", Springer Science and Business Media LLC, (2013), Vol 42, No 10: 1902-1911
"Theoretical investigations on electronics structure and chemical bonding on iridathiabenzene and iridaoxabenzene", Pleiades Publishing Ltd, (2013), Vol 87, No 10: 1684-1691
"A quantum chemistry study of ruthenabenzene complexes", Pleiades Publishing Ltd, (2013), Vol 87, No 9: 1506-1514
"Computational study of substituent effect in para substituted platinabenzene complexes", Pleiades Publishing Ltd, (2013), Vol 87, No 6: 973-978
"Computational Insights on the Structure and Properties of C24, C18B3N3, C12B6N6and Their Endohedral Complexes with Alkaline and Earth Alkaline Metals", Informa UK Limited, (2013), Vol 21, No 7: 644-652
"Quantum mechanical study of the structure, natural bond analysis, HOMO–LUMO analysis, substituents effect, and aromaticity on iridanaphthalene", Springer Science and Business Media LLC, (2013), Vol 25, No 3: 829-838
"A quantum chemical study of Cr(CO)3(B3N3H6 − n F n ) (n = 1–3) complexes", Pleiades Publishing Ltd, (2012), Vol 86, No 10: 1542-1548
"Molecular interaction of H2 and H2O with borthiin: a theoretical study", Springer Science and Business Media LLC, (2012), Vol 61, No 2: 248-252
"DFT studies and AIM analysis of AlN-polycycles", Pleiades Publishing Ltd, (2012), Vol 86, No 3: 402-407
"Chemical bonding and properties in [Ni(N-heterocylic carbene)(NO)(R)] (R = H, Me, HC=CH2, and C≡CH) complexes: Theoretical insights", Pleiades Publishing Ltd, (2012), Vol 53, No 2: 377-382
"Structure and bonding of Cu bis-dithiolenes complexes: a theoretical study", Informa UK Limited, (2011), Vol 33, No 1: 93-100
"A theoretical study of the interaction between [HB≡CH]−, [H2B=CH2]−, and boratabenzene anions with alkali and alkaline earth metals: properties and structures", Pleiades Publishing Ltd, (2011), Vol 52, No 4: 683-689
"Theoretical investigation on geometries and aromaticity of heterocyclic platinabenzenes", Pleiades Publishing Ltd, (2011), Vol 37, No 6: 463-467
"Dibromidobis(pyridine-3-carbonitrile-κN1)mercury(II)", International Union of Crystallography (IUCr), (2011), Vol 67, No 5: m595-m595
"Benzene-1,3-diammonium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)cobaltate(II) pentahydrate", International Union of Crystallography (IUCr), (2011), Vol 67, No 4: m507-m508
"Structure and Bonding of Ni(C6H4-nFn)(CO)2(C6H4=benzyne, n=1-4) Complexes", Korean Chemical Society, (2011), Vol 55, No 2: 183-188
"Theoretical investigation of the structure and properties of H2B=NH2...M n+, HB≡NH...M n+, and Borazine...M n+ complexes (M = Alkaline and Earth Alkaline Metals)", Pleiades Publishing Ltd, (2011), Vol 85, No 12: 2148-2155
"Theoretical study on platinabenzene and mono- and difluorinated platinabenzenes: Structure, properties, and aromaticity", Pleiades Publishing Ltd, (2011), Vol 37, No 1: 72-76
"Topological characteristics of the Ring Critical Points and the aromaticity of groups IIIA to VIA hetero-benzenes", Elsevier BV, (2010), Vol 941, No 1-3: 47-52
"Dibromidobis(pyridine-3-carbonitrile-κN1)zinc(II)", International Union of Crystallography (IUCr), (2010), Vol 67, No 1: m101-m101
"Theoretical Study of the Interactions Between Borthiin and Fluorinated Borthiins with Difluorine", Informa UK Limited, (2010), Vol 185, No 9: 1964-1971
"Theoretical insights into the properties of the XY≡YX...M n+ complexes (X = H, F, Cl; Y = C, Si; M = alkaline and alkaline earth metals)", Springer Science and Business Media LLC, (2010), Vol 51, No 2: 204-210
"Effect of substitution on the structures, properties, and aromaticity of 1-H-boratabenzene anion", IOS Press, (2009), Vol 8, No 2: 143-150
"Theoretical insights into the properties of the borazine… X- complexes (X- = H, F, Cl, CN, NC or NCO)", National Library of Serbia, (2009), Vol 74, No 10: 1105-1111
"Theoretical study of the dihydrogen bonded HMH…HB≡NH and HMH…HN≡BH complexes (M[dbnd]Be, Mg and Ca): properties and structures", IOS Press, (2008), Vol 7, No 2: 123-131
"Substitute Effect on the Structure, Stability of Valence Isomers and Aromaticity of 1-H-Boratabenzene", Wiley, (2008), Vol 55, No 6: 1308-1312
"Theoretical study of the properties of fluoroborthiin and fluoroboroxine", Elsevier BV, (2008), Vol 853, No 1-3: 77-81
"Theoretical study of classical isomers tropylium, azatropylium, phosphatropylium, and arsatropylium cations: structure, properties and aromaticity", IOS Press, (2008), Vol 7, No 2: 147-154
"Theoretical studies on the structures, properties, and aromaticities of fluorinated arsabenzenes", Springer Science and Business Media LLC, (2008), Vol 49, No 4: 600-605
"Solid Phase Extraction of Copper(II) from Aqueous Solutions by Adsorption of its 2-propylpiperidine-1-carbodithioate Complex on Alumina Column", Korean Chemical Society, (2008), Vol 52, No 4: 362-368
"Theoretical study of interaction of alkaline earth metal with and : structure, electronic properties and aromaticity", Informa UK Limited, (2007), Vol 28, No 6: 537-546
"Theoretical study of Borazanaphthalene and itsmono-Fluorinated derivatives: structure and properties", IOS Press, (2007), Vol 6, No 1: 43-51
"Theoretical study of borthiin and its derivatives: structure and aromaticity", Informa UK Limited, (2007), Vol 28, No 5: 505-511
"Arsacyclopentadienyl anions: Structure, properties and aromaticity", IOS Press, (2006), Vol 5, No 3: 153-161
"Theoretical studies on the structures, properties, and aromaticity of germatropylium cations", IOS Press, (2006), Vol 5, No 3: 203-214
"Theoretical Studies on the Structure and Aromaticity of 1H-Indene and Mono-sila-1H-Indene", Korean Chemical Society, (2006), Vol 50, No 4: 281-290
"A computational study of the arsabenzenes: Structure, properties and aromaticity", Elsevier BV, (2005), Vol 690, No 21-22: 4761-4767
"The mono- and di-silanaphthalene: structure, properties, and aromaticity", Elsevier BV, (2005), Vol 718, No 1-3: 225-233
"Metal-stabilized rare tautomers: N4 metalated cytosine (M = Li+, Na+, K+, Rb+ and Cs+), theoretical views", Wiley, (2003), Vol 17, No 8: 635-640

مقالات رضا غیاثی در کنفرانس های داخلی

Theoretical study of the Allene…M complexes (M = Li+, Na+, K+, Be2+, Mg2+, and Ca2+): Properties and Structures
سال 1388
ارائه شده در همایش ملی یافته های نوین شیمی در صنعت پزشکی
Solid phase extraction of trace Cd(II) Using aminopolycarboxylic acid-type cellulose and Determination by FAAS
سال 1388
ارائه شده در همایش ملی مهندسی شیمی
نگرش نظری بر تاثیر حلقه بورازین در پیش بینی ویژگیهای ایزومرهای ظرفیت C36
سال 1389
ارائه شده در اولین کنفرانس ملی علوم و فناوری نانو
مطالعه ی ترمودینامیکی فرایند فوتوکاتالیستی تخریب آلاینده های آزویی در ناحیه مرئی توسط نانوذرات کادمیم سولفید دوپه شده با نقره از دیدگاه برازش غیرخطی
سال 1393
ارائه شده در سومین همایش ملی فن آوری های نوین شیمی و مهندسی شیمی
Calculation of thermodynamic parameters of 3-Picrylamino-1,2,4-triazole (PATO) with Fullerens: C20, C24, C60 over different temperatures, using density functional theory
سال 1396
ارائه شده در اولین کنفرانس ملی نانو از سنتز تا صنعت
Calculation of thermodynamic parameters of 3-Picrylamino-1,2,4-triazole (PATO) with nanostructure of Nano cone over different temperatures, using density functional theory
سال 1396
ارائه شده در اولین کنفرانس ملی نانو از سنتز تا صنعت
Solvent polarity influence on NMR parameters a (OC)4Cr-biscarbene complex: A Computational investigation
سال 1398
ارائه شده در بیست و یکمین سمینار شیمی معدنی انجمن شیمی ایران
Pseudo Jahn-Teller Effect in Si4X4 (X=F, Cl, Br, I) molecules: A theoretical investigation
سال 1398
ارائه شده در بیست و یکمین سمینار شیمی معدنی انجمن شیمی ایران

مقالات رضا غیاثی در ژورنال های داخلی

The Study of Substituent effect on Osmabenzene complexes
سال 1393
ارائه شده در فصلنامه شیمی نوین
Computational study of substituent effect on the electronic properties of ferrocylidene acetophenones complexes
سال 1398
ارائه شده در فصلنامه ارتباطات شیمی ایران
Theoretical insights of magnetizability and solvent effect on the electronic properties of CoB8- molecule
سال 1395
ارائه شده در فصلنامه ارتباطات شیمی ایران
Theoretical Study of First Singlet Excited State of Para-Substituted Platinabenzene Complexes
سال 1398
ارائه شده در نشریه متدهای شیمیایی
Computational Investigation of β-hydrogen Elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br Molecules
سال 1398
ارائه شده در نشریه متدهای شیمیایی
Conformational Analysis of 2-halo-1,3,2-dioxaphosphinanes: A Density Functional Theory (DFT) Investigation
سال 1398
ارائه شده در نشریه متدهای شیمیایی
Adsorption of 3-picrylamino-1,2,4-triazole on C60 surface as a green fuel: DFT studies
سال 1399
ارائه شده در نشریه آسیایی شیمی سبز
Computational Investigation into the Solvent Effect on the Diels-Alder Reaction of Isobenzofuran and Ethylene
سال 1399
ارائه شده در نشریه متدهای شیمیایی
An Attempt for the Quantitative DFT-based Interpretation of the Conformational Preference of Negative Hyperconjugative Anomeric Effects in Trans-2,3- and Trans-2,5-dihalo-1,4-dioxanes
سال 1399
ارائه شده در نشریه متدهای شیمیایی
Synthesis and Theoretical Studies of [2-amino-3-(ethoxycarbonyl)-1,4-dihydro-1-phenyl-4-pyridinyl] Ferrocene Derivatives
سال 1399
ارائه شده در فصلنامه شیمی نوین
Conductor-like Polarizable Continuum Model (CPCM) solvation analysis in a N-heterocyclic carbene complex of stannocene
سال 1400
ارائه شده در فصلنامه شیمی معدنی
Effect of B۱۲N۱۲ junction on the energetic and chemical features of PATO: A density functional theory investigation
سال 1398
ارائه شده در مجله بین المللی ابعاد نانو
Experimental and computational insights for identification of dialkyl ۵-oxo-۵H-[۱,۳] thiazolo[۳,۲-a]pyrimidine-۲,۳-dicarboxylates
سال 1401
ارائه شده در مقالات مروری و پژوهشی شیمی
Effects of Substituent and Temperature on the Electronic Properties and Thermodynamics Parameters of ۱-(Benzothiazolylamino) Methyl-۲-Naphthol: A Computational Study
سال 1400
ارائه شده در دوفصلنامه تحقیقات شیمی آلی