| Year |
Citation |
Score |
| 2020 |
Ahmadi A, Kassaee MZ, Ayoubi-Chianeh M, Fattahi A. New pathways of stability for NHCs derived from azole, di-azole, n-tetrazole, and ab-tetrazole, by DFT. Journal of Molecular Modeling. 26: 324. PMID 33126264 DOI: 10.1007/s00894-020-04575-2 |
0.33 |
|
| 2020 |
Kotena ZM, Fattahi A. Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT study. Journal of Molecular Graphics & Modelling. 98: 107612. PMID 32302939 DOI: 10.1016/J.Jmgm.2020.107612 |
0.419 |
|
| 2018 |
Bayat A, Fattahi A. Influence of remote intramolecular hydrogen bonding on the acidity of hydroxy‐1,4‐benzoquinonederivatives: A DFT study Journal of Physical Organic Chemistry. 32: e3919. DOI: 10.1002/Poc.3919 |
0.425 |
|
| 2018 |
Kheirjou S, Fattahi A. Ionic liquid based on 6-amino-6-deoxy hexopyranose cation and BF4
¯
, PF6
¯
, and ClO4
¯
as anions: A DFT study on the structural and electronic properties Journal of Physical Organic Chemistry. 31: e3798. DOI: 10.1002/Poc.3798 |
0.336 |
|
| 2017 |
Motahari A, Fattahi A. Theoretical aspects of the enhancement of metal binding affinity by intramolecular hydrogen bonding and modulating pKavalues New Journal of Chemistry. 41: 15110-15119. DOI: 10.1039/C7Nj02693E |
0.385 |
|
| 2017 |
Khairallah GN, Meyer MM, O’Hair RA, Fattahi A, Schmidt J, Kass SR. Reactions of doubly deprotonated 2,6-naphthalenedicarboxylic acid with alcohols: Proton transfer versus solvation International Journal of Mass Spectrometry. 418: 180-187. DOI: 10.1016/J.Ijms.2016.09.005 |
0.338 |
|
| 2017 |
Ahmadi A, Kassaee MZ, Fattahi A. Does gold cluster promote or scavenge radicals? A controversy at DFT Journal of Physical Organic Chemistry. 31: e3776. DOI: 10.1002/Poc.3776 |
0.391 |
|
| 2017 |
Bayat A, Fattahi A. The free radical scavenging activity of lespedezacoumestan toward ˙OH radical: A quantum chemical and computational kinetics study Journal of Physical Organic Chemistry. 31: e3755. DOI: 10.1002/Poc.3755 |
0.391 |
|
| 2017 |
Bayat A, Fattahi A. A quantum chemical study on the OH radical quenching by natural antioxidant fisetin Journal of Physical Organic Chemistry. 30. DOI: 10.1002/Poc.3692 |
0.394 |
|
| 2016 |
Fattahi A, Lis L, Kass SR. Phenylcyclopropane Energetics and Characterization of Its Conjugate Base: Phenyl Substituent Effects and the C-H Bond Dissociation Energy of Cyclopropane. The Journal of Organic Chemistry. PMID 27598540 DOI: 10.1021/Acs.Joc.6B01718 |
0.403 |
|
| 2016 |
Fattahi A, Lis L, Kass SR. Styrene energetics and characterization of its conjugate base: An example of isotopic labeling gone awry International Journal of Mass Spectrometry. DOI: 10.1016/J.Ijms.2016.03.009 |
0.368 |
|
| 2015 |
Samet M, Fattahi A, Kass SR. Stereoelectronic effects: a simple yet powerful tool to manipulate anion affinity. Organic & Biomolecular Chemistry. 13: 2170-6. PMID 25535926 DOI: 10.1039/C4Ob02470B |
0.408 |
|
| 2015 |
Samet M, Danesh-Yazdi M, Fattahi A, Kass SR. Power of a remote hydrogen bond donor: anion recognition and structural consequences revealed by IR spectroscopy. The Journal of Organic Chemistry. 80: 1130-5. PMID 25490049 DOI: 10.1021/Jo502652Z |
0.383 |
|
| 2015 |
Vafaeezadeh M, Fattahi A. DFT investigations for "Fischer" esterification mechanism over silica-propyl-SO3H catalyst: Is the reaction reversible? Computational and Theoretical Chemistry. 1071: 27-32. DOI: 10.1016/J.Comptc.2015.07.028 |
0.393 |
|
| 2015 |
Ahmadi AA, Fattahi A. Influence of a β-OH substituent on S<inf>N</inf>2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study Computational and Theoretical Chemistry. 1067: 71-83. DOI: 10.1016/J.Comptc.2015.05.021 |
0.461 |
|
| 2014 |
Vafaeezadeh M, Fattahi A. Calculating the acidity of silica supported alkyl sulfonic acids considering the matrix effect: A DFT study Phosphorus, Sulfur and Silicon and the Related Elements. 189: 849-857. DOI: 10.1080/10426507.2013.855770 |
0.448 |
|
| 2014 |
Vafaeezadeh M, Fattahi A. A study on the catalytic activity and theoretical modeling of a novel dual acidic mesoporous silica Rsc Advances. 4: 16647-16654. DOI: 10.1039/C3Ra47638C |
0.315 |
|
| 2014 |
Kheirjou S, Fattahi A, Hashemi MM. The intramolecular cation-π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis Computational and Theoretical Chemistry. 1036: 51-60. DOI: 10.1016/J.Comptc.2014.02.008 |
0.466 |
|
| 2014 |
Kheirjou S, Abedin A, Fattahi A, Hashemi MM. Excellent response of the DFT study to the calculations of accurate relative pKa value of different benzo-substituted quinuclidines Computational and Theoretical Chemistry. 1027: 191-196. DOI: 10.1016/J.Comptc.2013.11.010 |
0.362 |
|
| 2014 |
Najdian A, Shakourian-Fard M, Fattahi A. Cooperativity effects of intramolecular OH...O interactions on pK a values of polyolalkyl sulfonic acids in the gas phase and solution: A density functional theory study Journal of Physical Organic Chemistry. 27: 604-612. DOI: 10.1002/Poc.3307 |
0.41 |
|
| 2014 |
Vafaeezadeh M, Fattahi A. Interaction of ionic liquids with the surface of silica gel using nanocluster approach: A combined density functional theory and experimental study Journal of Physical Organic Chemistry. 27: 163-167. DOI: 10.1002/Poc.3243 |
0.3 |
|
| 2013 |
Shokri A, Ramezani M, Fattahi A, Kass SR. Electrostatically defying cation-cation clusters: can likes attract in a low-polarity environment? The Journal of Physical Chemistry. A. 117: 9252-8. PMID 24011262 DOI: 10.1021/Jp405063H |
0.429 |
|
| 2013 |
Aliakbar Tehrani Z, Fattahi A. Comparison of gas phase intrinsic properties of cytosine and thymine nucleobases with their O-alkyl adducts: different hydrogen bonding preferences for thymine versus O-alkyl thymine. Journal of Molecular Modeling. 19: 2993-3005. PMID 23564326 DOI: 10.1007/S00894-013-1813-0 |
0.413 |
|
| 2013 |
Shakourian-Fard M, Fattahi A. Influence of cation-heteroatom (Li+, Na+, and K +) interaction on the structural and thermochemical properties of 2′-deoxythymidine nucleoside: Qtaim and NBO analyzes Journal of Theoretical and Computational Chemistry. 12. DOI: 10.1142/S0219633612501131 |
0.475 |
|
| 2013 |
Kheirjou S, Mehrpajouh S, Fattahi A. Drastic influence of boron atom on the acidity of alcohol in both gas phase and solution phase, a DFT study Journal of Theoretical and Computational Chemistry. 12. DOI: 10.1142/S0219633612501039 |
0.383 |
|
| 2013 |
Shakourian-Fard M, Jamshidi Z, Bayat A, Fattahi A. Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study Journal of Fluorine Chemistry. 153: 96-100. DOI: 10.1016/J.Jfluchem.2013.05.009 |
0.49 |
|
| 2013 |
Bayat A, Fattahi A. Investigation of the scavenging mechanism of tyrosyl radical by hydroxybenzohydroxamic acid derivatives: A DFT study Computational and Theoretical Chemistry. 1018: 35-44. DOI: 10.1016/J.Comptc.2013.05.026 |
0.457 |
|
| 2013 |
Aliakbar Tehrani Z, Shakourian-Fard M, Fattahi A. Computational investigation of thermochemical properties of non-natural C-nucloebases: Different hydrogen-bonding preferences for non-natural Watson-Crick base pairs Structural Chemistry. 24: 1015-1025. DOI: 10.1007/S11224-012-0115-Y |
0.461 |
|
| 2013 |
Aliakbar Tehrani Z, Fattahi A. Conformational aspects of glutathione tripeptide: Electron density topological & natural bond orbital analyses Structural Chemistry. 24: 147-158. DOI: 10.1007/S11224-012-0023-1 |
0.457 |
|
| 2013 |
Torabifard H, Fattahi A. DFT study on Thiotepa and Tepa interactions with their DNA receptor Structural Chemistry. 24: 1-11. DOI: 10.1007/S11224-012-0020-4 |
0.748 |
|
| 2012 |
Javan MJ, Jamshidi Z, Tehrani ZA, Fattahi A. Interactions of coinage metal clusters with histidine and their effects on histidine acidity; theoretical investigation. Organic & Biomolecular Chemistry. 10: 9373-82. PMID 23108513 DOI: 10.1039/C2Ob25711D |
0.4 |
|
| 2012 |
Shokri A, Abedin A, Fattahi A, Kass SR. Effect of hydrogen bonds on pKa values: importance of networking. Journal of the American Chemical Society. 134: 10646-50. PMID 22656241 DOI: 10.1021/Ja3037349 |
0.431 |
|
| 2012 |
Shakourian-Fard M, Fattahi A, Bayat A. Ionic liquid based on α-amino acid anion and N7,N9-dimethylguaninium cation ([dMG][AA]): theoretical study on the structure and electronic properties. The Journal of Physical Chemistry. A. 116: 5436-44. PMID 22545810 DOI: 10.1021/Jp211774Y |
0.518 |
|
| 2012 |
Aliakbar Tehrani Z, Jamshidi Z, Jebeli Javan M, Fattahi A. Interactions of glutathione tripeptide with gold cluster: influence of intramolecular hydrogen bond on complexation behavior. The Journal of Physical Chemistry. A. 116: 4338-47. PMID 22356446 DOI: 10.1021/Jp2080226 |
0.431 |
|
| 2012 |
Torabifard H, Fattahi A. Mechanisms and kinetics of thiotepa and tepa hydrolysis: DFT study. Journal of Molecular Modeling. 18: 3563-76. PMID 22331106 DOI: 10.1007/S00894-012-1354-Y |
0.745 |
|
| 2012 |
Fattahi A, Lis L, Tehrani ZA, Marimanikkuppam SS, Kass SR. Experimental and computational bridgehead C-H bond dissociation enthalpies. The Journal of Organic Chemistry. 77: 1909-14. PMID 22283592 DOI: 10.1021/Jo202519W |
0.396 |
|
| 2012 |
Tehrani ZA, Javan MJ, Fattahi A, Hashemi MM. Effect of cation radical formation on reactivity and acidity enhancement of cytosine nucleobase: Natural bond orbital and atom in molecule analysis Journal of Theoretical and Computational Chemistry. 11: 313-327. DOI: 10.1142/S0219633612500228 |
0.493 |
|
| 2012 |
Aliakbar Tehrani Z, Fattahi A, Pourjavadi A. Influence of metal complexation on acidity of cytosine nucleosides: Part I, Li +, Na + and K + cation Scientia Iranica. 19: 535-545. DOI: 10.1016/J.Scient.2011.11.042 |
0.407 |
|
| 2012 |
Kheirjou S, Abedin A, Fattahi A. Theoretical descriptors response to the calculations of the relative pK a values of some boronic acids in aqueous solution: A DFT study Computational and Theoretical Chemistry. 1000: 1-5. DOI: 10.1016/J.Comptc.2012.08.012 |
0.469 |
|
| 2012 |
Jebeli Javan M, Tehrani ZA, Fattahi A, Jamshidi Z. Can anion interaction accelerate transformation of cytosine tautomers? Detailed view form QTAIM analysis Structural Chemistry. 23: 1843-1855. DOI: 10.1007/S11224-012-9993-2 |
0.469 |
|
| 2012 |
Tehrani ZA, Torabifard H, Fattahi A. Thermochemical properties of some vinyl chloride-induced DNA lesions: Detailed view from NBO & AIM analysis Structural Chemistry. 23: 1987-2001. DOI: 10.1007/S11224-012-0026-Y |
0.712 |
|
| 2012 |
Javan MJ, Tehrani ZA, Fattahi A. Structural behavior of sugar radicals formed by proton transfer reaction of deoxycytidine cation radical: Detailed view from NBO analysis Structural Chemistry. 23: 1185-1192. DOI: 10.1007/S11224-011-9942-5 |
0.461 |
|
| 2012 |
Shakourian-Fard M, Nasiri M, Fattahi A, Vafaeezadeh M. Influence of the water molecules (n 5 1-6) on the interaction between Li +, Na +, K + cations and indole molecule as tryptophan amino acid residue Structural Chemistry. 23: 857-865. DOI: 10.1007/S11224-011-9930-9 |
0.457 |
|
| 2012 |
Ahmadi MS, Shakourian-Fard M, Fattahi A. Molecular structure and character of bonding of mono and divalent metal cations (Li +, Na +, K +, Mg 2+, Ca 2+, Zn 2+, and cu +) with guanosine: AIM and NBO analysis Structural Chemistry. 23: 613-626. DOI: 10.1007/S11224-011-9906-9 |
0.476 |
|
| 2012 |
Shakourian-Fard M, Fattahi A. Theoretical investigation on the structural and electronic properties of complexes formed by thymine and 2'-deoxythymidine with different anions Structural Chemistry. 23: 17-28. DOI: 10.1007/S11224-011-9837-5 |
0.497 |
|
| 2012 |
Javan MJ, Tehrani ZA, Fattahi A, Hashemi MM. How hydrogen-bonded MnO4- can influence oxidation of olefins in both gas phase and solution? Journal of Physical Organic Chemistry. 25: 1198-1209. DOI: 10.1002/Poc.2992 |
0.484 |
|
| 2012 |
Nasiri M, Shakourian-Fard M, Fattahi A. Influence of the hydrogen bonding on the basicity of selected macrocyclic amines Journal of Physical Organic Chemistry. 25: 803-810. DOI: 10.1002/Poc.2922 |
0.491 |
|
| 2012 |
Tehrani ZA, Abedin A, Shakourian-Fard M, Fattahi A. What roles do boron substitutions play in structural, tautomeric, base pairing and electronic properties of uracil? NBO & AIM analysis Journal of Physical Organic Chemistry. 25: 787-796. DOI: 10.1002/Poc.2918 |
0.484 |
|
| 2012 |
Shakourian-Fard M, Fattahi A, Jamshidi Z. Interaction of cations with 2′-deoxythymidine nucleoside and analysis of the nature and strength of cation bonds Journal of Physical Organic Chemistry. 25: 153-161. DOI: 10.1002/Poc.1888 |
0.46 |
|
| 2011 |
Tehrani ZA, Fattahi A, Javan MJ, Hashemi MM. DFT study on conformational behavior of hydrogen ion abstractions of cytosine nucleosides: AIM and NBO analysis Journal of Theoretical and Computational Chemistry. 10: 803-817. DOI: 10.1142/S0219633611006797 |
0.485 |
|
| 2011 |
Ahmadi MS, Fattahi A. On the binding of Mg 2+, Ca 2+, Zn 2+ and Cu + metal cations to 2 ′ -deoxyguanosine: Changes on sugar puckering and strength of the N-glycosidic bond Scientia Iranica. 18: 1343-1352. DOI: 10.1016/J.Scient.2011.09.015 |
0.432 |
|
| 2011 |
Tehrani ZA, Javan MJ, Fattahi A, Hashemi MM. Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis Computational and Theoretical Chemistry. 971: 19-29. DOI: 10.1016/J.Comptc.2011.05.033 |
0.456 |
|
| 2010 |
Fattahi A, Zekavat B, Solouki T. H/D exchange kinetics: experimental evidence for formation of different b fragment ion conformers/isomers during the gas-phase peptide sequencing. Journal of the American Society For Mass Spectrometry. 21: 358-69. PMID 20005740 DOI: 10.1016/J.Jasms.2009.10.017 |
0.601 |
|
| 2010 |
Ahmadi MS, Fattahi A. DFT study on metal cationization and o6-protonation on 2'-deoxyguanosine configuration: Changes on sugar puckering and strength of the n-glycosidic bond Journal of Theoretical and Computational Chemistry. 9: 585-609. DOI: 10.1142/S0219633610005864 |
0.453 |
|
| 2010 |
Tehrani ZA, Tavasoli E, Fattahi A. Conformational behavior and potential energy profile of gaseous histidine Journal of Molecular Structure: Theochem. 960: 73-85. DOI: 10.1016/J.Theochem.2010.08.025 |
0.449 |
|
| 2009 |
Tian Z, Fattahi A, Lis L, Kass SR. Single-centered hydrogen-bonded enhanced acidity (SHEA) acids: a new class of Brønsted acids. Journal of the American Chemical Society. 131: 16984-8. PMID 19919149 DOI: 10.1021/Ja9075106 |
0.42 |
|
| 2009 |
Tehrani ZA, Fattahi A, Pourjavadi A. DFT study of the interaction of cytidine and 2'-deoxycytidine with Li+, Na+, and K+: effects of metal cationization on sugar puckering and stability of the N-glycosidic bond. Carbohydrate Research. 344: 771-8. PMID 19281968 DOI: 10.1016/J.Carres.2009.02.007 |
0.456 |
|
| 2009 |
Rashidian M, Fattahi A. Comparison of thermochemistry of aspartame (artificial sweetener) and glucose. Carbohydrate Research. 344: 127-33. PMID 18992876 DOI: 10.1016/J.Carres.2008.09.020 |
0.308 |
|
| 2009 |
Tavasoli E, Fattahi A. Dft study on gas-phase interaction between histidine and alkali metal ions (li+, na+, k+); And influence of these ions on histidine acidity Journal of Theoretical and Computational Chemistry. 8: 475-490. DOI: 10.1142/S0219633609004812 |
0.429 |
|
| 2009 |
Tavasoli E, Fattahi A. Dft study of bond energies and attachment sites of sample divalent cations (mg2+, ca2+, zn2+) to histidine in the gas phase Journal of Theoretical and Computational Chemistry. 8: 347-371. DOI: 10.1142/S0219633609004642 |
0.421 |
|
| 2009 |
Tehrani ZA, Fattahi A. Anion interactions of cytosine nucleobase and its nucleosides: Detailed view from DFT study Journal of Molecular Structure: Theochem. 913: 277-283. DOI: 10.1016/J.Theochem.2009.08.008 |
0.458 |
|
| 2009 |
Tehrani ZA, Fattahi A, Pourjavadi A. Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study Journal of Molecular Structure: Theochem. 913: 117-125. DOI: 10.1016/J.Theochem.2009.07.026 |
0.46 |
|
| 2008 |
Fattahi A, Tavasoli E. Conversion of a weak organic acid to a super acid in the gas phase Journal of Physical Organic Chemistry. 21: 112-118. DOI: 10.1002/Poc.1292 |
0.352 |
|
| 2006 |
Tian Z, Fattahi A, Lis L, Kass SR. Cycloalkane and cycloalkene C-H bond dissociation energies. Journal of the American Chemical Society. 128: 17087-92. PMID 17177461 DOI: 10.1021/Ja065348U |
0.313 |
|
| 2004 |
Pratt LM, Fattahi A, Kass SR. Tetrafluorobenzyne thermochemistry: experiment and theory. European Journal of Mass Spectrometry (Chichester, England). 10: 813-8. PMID 15775041 DOI: 10.1255/Ejms.699 |
0.363 |
|
| 2003 |
Fattahi A, McCarthy RE, Ahmad MR, Kass SR. Why does cyclopropene have the acidity of an acetylene but the bond energy of methane? Journal of the American Chemical Society. 125: 11746-50. PMID 13129379 DOI: 10.1021/Ja035725S |
0.323 |
|
| 2003 |
Fattahi A, Solouki T. Using solution equilibria to determine average molecular weight of the Suwannee River fulvic acids Analytica Chimica Acta. 496: 325-337. DOI: 10.1016/S0003-2670(03)01010-9 |
0.582 |
|
| 2001 |
Solouki T, Fort RC, Alomary A, Fattahi A. Gas phase hydrogen deuterium exchange reactions of a model peptide: FT-ICR and computational analyses of metal induced conformational mutations. Journal of the American Society For Mass Spectrometry. 12: 1272-85. PMID 11766754 DOI: 10.1016/S1044-0305(01)00315-4 |
0.715 |
|
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