| Year |
Citation |
Score |
| 2023 |
Movahedi E, Razmazma H, Rezvani A, Ebrahimi A. Binding profile of a mixed-ligand silver(I) complex with DNA and Topoisomerase I. Computational Biology and Chemistry. 103: 107831. PMID 36822076 DOI: 10.1016/j.compbiolchem.2023.107831 |
0.746 |
|
| 2023 |
Movahedi E, Razmazma H, Rezvani A, Nowroozi A, Ebrahimi A, Eigner V, Dusek M, Arjmand F. A novel Cu(II)-based DNA-intercalating agent: Structural and biological insights using biophysical and in silico techniques. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 293: 122438. PMID 36758364 DOI: 10.1016/j.saa.2023.122438 |
0.742 |
|
| 2020 |
Eid J, Razmazma H, Jraij A, Ebrahimi A, Monticelli L. On Calculating the Bending Modulus of Lipid Bilayer Membranes from Buckling Simulations. The Journal of Physical Chemistry. B. PMID 32597189 DOI: 10.1021/Acs.Jpcb.0C04253 |
0.712 |
|
| 2020 |
Razmazma H, Ebrahimi A, Hashemi M. Structural insights for rational design of new PIM-1 kinase inhibitors based on 3,5-disubstituted indole derivatives: An integrative computational approach. Computers in Biology and Medicine. 118: 103641. PMID 32174320 DOI: 10.1016/J.Compbiomed.2020.103641 |
0.72 |
|
| 2020 |
Saremi LH, Ebrahimi A, Lagzian M. Identification of New Potential Cyclooxygenase-2 Inhibitors: Insight from High Throughput Virtual Screening of 18 Million Compounds Combined with Molecular Dynamic Simulation and Quantum Mechanics. Journal of Biomolecular Structure & Dynamics. 1-35. PMID 32122267 DOI: 10.1080/07391102.2020.1737574 |
0.338 |
|
| 2020 |
Hesabi N, Ebrahimi A. The electrochemical properties and PIM1 kinase enzyme inhibition of some 2-(hydroxy phenyl amino) naphthalene-1,4-dione derivatives Journal of Molecular Liquids. 307: 112874. DOI: 10.1016/J.Molliq.2020.112874 |
0.433 |
|
| 2020 |
Bavafa S, Nowroozi A, Ebrahimi A. Ab initio study of aerogen-bonds between some heterocyclic compounds of benzene with the noble gas elements (Ne, Ar, and Kr) Structural Chemistry. 31: 435-445. DOI: 10.1007/S11224-019-01416-8 |
0.449 |
|
| 2019 |
Chalanchi SM, Ebrahimi A, Nowroozi A. Theoretical insight to intermolecular hydrogen bond interactions between methyl N-(2-pyridyl) carbamate and acetic acid: substituent effects, cooperativity and energy decomposition analysis The Bulletin of the Center For Children's Books. 51: 224-233. DOI: 10.34049/Bcc.51.2.4896 |
0.387 |
|
| 2019 |
Khalilinia E, Ebrahimi A. Tautomerism, Intramolecular H-bonding, Acidity and Complexation of 2,4-Dioxo-4-Phenylbutanoic Acid Physical Chemistry Research. 7: 375-394. DOI: 10.22036/Pcr.2019.156619.1565 |
0.356 |
|
| 2019 |
Shahraki A, Ebrahimi A. Binding of ellagic acid and urolithin metabolites to the CK2 protein, based on the ONIOM method and molecular docking calculations New Journal of Chemistry. 43: 15983-15998. DOI: 10.1039/C9Nj03508G |
0.304 |
|
| 2019 |
Azizi A, Ebrahimi A. The effects of anion approaching directions to the π-π+ interaction Journal of Molecular Liquids. 276: 170-178. DOI: 10.1016/J.Molliq.2018.11.128 |
0.443 |
|
| 2019 |
Shahraki A, Ebrahimi A. Ellagitannin derivatives and some conjugated metabolites: aqueous-DMSO proton affinities and acidity constants Structural Chemistry. 30: 1343-1351. DOI: 10.1007/S11224-019-1284-8 |
0.337 |
|
| 2019 |
Chalanchi SM, Ebrahimi A, Nowroozi A. Complexes of damirone A/C, batzelline A/D, makaluvamine O and makaluvone with guanidinium and magnesium cations: a theoretical study Structural Chemistry. 30: 1635-1646. DOI: 10.1007/S11224-019-01325-W |
0.433 |
|
| 2019 |
Bavafa S, Nowroozi A, Ebrahimi A. Quantum chemical study of the nature of interactions between the boraphosphinine and alumaphosphinine with some of the mono- and divalent cations: cation–π or cation–lone pair? Structural Chemistry. 30: 1887-1898. DOI: 10.1007/S11224-019-01320-1 |
0.408 |
|
| 2018 |
Razmazma H, Ebrahimi A. The effects of cation-π and anion-π interactions on halogen bonds in the [N⋯X⋯N] complexes: A comprehensive theoretical study. Journal of Molecular Graphics & Modelling. 84: 134-144. PMID 29975864 DOI: 10.1016/J.Jmgm.2018.06.006 |
0.76 |
|
| 2018 |
Mostafavi N, Ebrahimi A. The estimation of H-bond and metal ion-ligand interaction energies in the G-Quadruplex ⋯ Mn+ complexes Journal of Molecular Structure. 1161: 246-253. DOI: 10.1016/J.Molstruc.2018.02.023 |
0.375 |
|
| 2018 |
Behazin R, Ebrahimi A. The physicochemical properties and tyrosinase inhibitory activity of ectoine and its analogues: A theoretical study Computational and Theoretical Chemistry. 1130: 6-14. DOI: 10.1016/J.Comptc.2018.03.003 |
0.375 |
|
| 2018 |
Sarhadinia S, Ebrahimi A. The effect of anion-π interactions on the properties of pyrazinamide and some related compounds Computational and Theoretical Chemistry. 1124: 51-58. DOI: 10.1016/J.Comptc.2017.12.003 |
0.418 |
|
| 2018 |
Nowroozi A, Ebrahimi A, Rad OR. Mutual effects of the cation-π, anion-π and intramolecular hydrogen bond in the various complexes of 1,3,5-triamino-2,4,6-trinitrobenzene with some cations (Li + , Na + , K + , Mg 2+ , Ca 2+ ) and anions (F ˗ , Cl ˗ , Br ˗ ) Structural Chemistry. 29: 129-137. DOI: 10.1007/S11224-017-1010-3 |
0.43 |
|
| 2018 |
Mostafavi N, Ebrahimi A. The role of chlorine substituents in lichexanthones properties: the ionic and halogen bond interactions Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2294-0 |
0.468 |
|
| 2017 |
Azizi A, Ebrahimi A. Theoretical investigation of the π(+)-π(+) stacking interactions in substituted pyridinium ion. Journal of Molecular Graphics & Modelling. 77: 225-231. PMID 28898787 DOI: 10.1016/J.Jmgm.2017.08.024 |
0.446 |
|
| 2017 |
Hesabi N, Ebrahimi A, Nowroozi A. Intermolecular hydrogen bonds between 1,4-benzoquinones and HF molecule: Synergetic effects, reduction potentials and electron affinities. Journal of Molecular Graphics & Modelling. 77: 86-93. PMID 28850896 DOI: 10.1016/J.Jmgm.2017.08.012 |
0.443 |
|
| 2017 |
Pakzad F, Ebrahimi A, Azizi A. The π–π stacking of tanshinone I and isotanshinone I with phenylalanine: The effects of isomerization, complexation and environment Journal of Theoretical and Computational Chemistry. 16: 1750067. DOI: 10.1142/S0219633617500675 |
0.37 |
|
| 2017 |
Akher FB, Ebrahimi A, Mostafavi N. Characterization of π-stacking interactions between aromatic amino acids and quercetagetin Journal of Molecular Structure. 1128: 13-20. DOI: 10.1016/J.Molstruc.2016.08.040 |
0.438 |
|
| 2017 |
Rezazadeh S, Ebrahimi A, Nowroozi A. The effects of structural properties on the methylglyoxal scavenging mechanism of flavonoid aglycones: A quantum mechanical study Computational and Theoretical Chemistry. 1118: 26-38. DOI: 10.1016/J.Comptc.2017.09.001 |
0.351 |
|
| 2017 |
Pakzad F, Ebrahimi A, Azizi A. Tanshinone I and isotanshinone I: The effects of media, isomerization and complexation on structural and electronic parameters Computational and Theoretical Chemistry. 1115: 276-283. DOI: 10.1016/J.Comptc.2017.07.005 |
0.389 |
|
| 2017 |
Habibi-Khorassani SM, Shahraki M, Ebrahimi A, Darijani M. Experimental and Theoretical Insight into the Kinetics and Mechanism of the Synthesis Reaction of 2,3-Dihydro-2-phenylquinazolin-4(1H)-one Catalyzed in Formic Acid International Journal of Chemical Kinetics. 49: 157-172. DOI: 10.1002/Kin.21064 |
0.321 |
|
| 2016 |
Farrokhzadeh A, Modarresi-Alam AR, Akher FB, Ebrahimi A. A theoretical study of π-stacking interactions in C-substituted tetrazoles. Journal of Molecular Graphics & Modelling. 67: 85-93. PMID 27258189 DOI: 10.1016/J.Jmgm.2016.05.005 |
0.378 |
|
| 2016 |
Delarami HS, Ebrahimi A. Theoretical investigation of the backbone⋯π and π⋯π stacking interactions in substituted-benzene||3-methyl-2′-deoxyadenosine: A perspective to the DNA repair Molecular Physics. 114: 774-783. DOI: 10.1080/00268976.2015.1118569 |
0.415 |
|
| 2016 |
Sarhadinia S, Ebrahimi A. H-bond and dipole–dipole interactions between water and [sbnd]COO[sbnd] functional group in methyl benzoate derivatives: Substituent and heteroatom effects Journal of Molecular Graphics and Modelling. 70: 7-13. DOI: 10.1016/J.Jmgm.2016.09.003 |
0.443 |
|
| 2016 |
Azizi A, Ebrahimi A. The X−···benzohydrazide complexes: the interplay between anion-π and H-bond interactions Structural Chemistry. 1-9. DOI: 10.1007/S11224-016-0839-1 |
0.461 |
|
| 2016 |
Momeni Z, Ebrahimi A. The influence of CH…π interaction on hydrogen bonding ability of –CONH2 functional group of benzamide Structural Chemistry. 1-11. DOI: 10.1007/S11224-016-0745-6 |
0.426 |
|
| 2016 |
Momeni Z, Ebrahimi A. Investigation of the effect of π–π stacking interaction on the properties of –CONH2 functional group of benzamide Structural Chemistry. 27: 731-737. DOI: 10.1007/S11224-015-0615-7 |
0.406 |
|
| 2015 |
Akher FB, Ebrahimi A. π-Stacking effects on the hydrogen bonding capacity of methyl 2-naphthoate. Journal of Molecular Graphics & Modelling. 61: 115-22. PMID 26209766 DOI: 10.1016/J.Jmgm.2015.06.013 |
0.412 |
|
| 2015 |
Farzanfar J, Ghasemi K, Rezvani AR, Delarami HS, Ebrahimi A, Hosseinpoor H, Eskandari A, Rudbari HA, Bruno G. Synthesis, characterization, X-ray crystal structure, DFT calculation and antibacterial activities of new vanadium(IV, V) complexes containing chelidamic acid and novel thiourea derivatives. Journal of Inorganic Biochemistry. 147: 54-64. PMID 25770009 DOI: 10.1016/J.Jinorgbio.2015.02.007 |
0.362 |
|
| 2015 |
Masoodi HR, Ebrahimi A, Bagheri S. The influence of cations and anions on some structural and electronic properties of single-walled zigzag boron nitride and aluminum nitride nanotubes: a computational study Structural Chemistry. 26: 1013-1024. DOI: 10.1007/S11224-015-0560-5 |
0.385 |
|
| 2015 |
Delarami HS, Ebrahimi A, Bazzi S, Habibi Khorassani SM. The effect of intramolecular hydrogen bond on the N-glycosidic bond strength in 3-methyl-2′-deoxyadenosine: A quantum chemical study Structural Chemistry. 26: 411-419. DOI: 10.1007/S11224-014-0493-4 |
0.389 |
|
| 2014 |
Kazemian MA, Habibi-Khorassani SM, Maghsoodlu MT, Ebrahimi A. Full kinetics investigation of the formation reaction of phosphonate esters in the gas-phase: a theoretical study. Journal of Molecular Modeling. 20: 2103. PMID 24633765 DOI: 10.1007/S00894-014-2103-1 |
0.331 |
|
| 2014 |
Azizi A, Ebrahimi A, Habibi-Khorassani M, Rezazadeh S, Behazin R. The effects of interactions of dicarboxylic acids on the stability of the caffeine molecule: A theoretical study Bulletin of the Chemical Society of Japan. 87: 1116-1123. DOI: 10.1246/Bcsj.20130287 |
0.415 |
|
| 2014 |
Ebrahimi A, Karimi P, Akher FB, Behazin R, Mostafavi N. Investigation of the π-π Stacking interactions without direct electrostatic effects of substituents: The aromatic aromatic and aromatic anti-aromatic complexes Molecular Physics. 112: 1047-1056. DOI: 10.1080/00268976.2013.830784 |
0.427 |
|
| 2014 |
Ebrahimi A, Habibi Khorassani SM, Behazin R, Rezazadeh S, Azizi A, Karimi P. Relationship between cation-π and anion-π interactions: Individual binding energies in the π-Mz+-π-X--π system Molecular Physics. 112: 41-48. DOI: 10.1080/00268976.2013.796417 |
0.411 |
|
| 2014 |
Ebrahimi A, Habibi-Khorasani M, Rezazadeh S, Behazin R, Azizi A. Theoretical study on the detailed repair of O6-methyl guanine to guanine by cysteine Journal of Chemical Sciences. 126: 1803-1813. DOI: 10.1007/S12039-014-0724-7 |
0.305 |
|
| 2014 |
Ebrahimi A, Mostafavi N, Karimi P. Presentation of a new index for estimation of aromaticity in halo- and cyanobenzenes: The role of potential energy in aromaticity International Journal of Quantum Chemistry. 114: 154-161. DOI: 10.1002/Qua.24534 |
0.356 |
|
| 2013 |
Ebrahimi A, Habibi-Khorassani M, Akher FB, Farrokhzadeh A, Karimi P. Caffeine as base analogue of adenine or guanine: a theoretical study. Journal of Molecular Graphics & Modelling. 42: 81-91. PMID 23583737 DOI: 10.1016/J.Jmgm.2013.02.012 |
0.378 |
|
| 2013 |
Ebrahimi A, Habibi-Khorassani M, Shahraki A. The radical cationic repair pathway of cyclobutane pyrimidine dimer: the effect of sugar-phosphate backbone. Photochemistry and Photobiology. 89: 74-82. PMID 22827513 DOI: 10.1111/J.1751-1097.2012.01206.X |
0.382 |
|
| 2013 |
Habibi-Khorassani SM, Maghsoodluo MT, Ebrahimi A, Ghalandarzehi Y, Ghodsi F, Asheri O. Mechanistic study of the formation of a phosphonate ester containing 2-fluoroaniline: theoretical assignment of the resulting isomer Progress in Reaction Kinetics and Mechanism. 38: 221-239. DOI: 10.3184/146867813X13708865885287 |
0.335 |
|
| 2013 |
Delarami H, Ebrahimi A, Khorasani SMH, Abedini S, Mostafavi N. The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs Physical Chemistry Research. 1: 81-89. DOI: 10.22036/Pcr.2013.2763 |
0.412 |
|
| 2013 |
Shahraki M, Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou M, Ghalandarzehi Y. Intramolecular hydrogen bonding in chemoselective synthesized 2-substituted pyrrole stable phosphorus ylide: GIAO, AIM, and NBO approaches Structural Chemistry. 24: 623-635. DOI: 10.1007/S11224-012-0114-Z |
0.415 |
|
| 2013 |
Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou M, Asheri O, Shahraki M, Akbarzadeh N, Ghalandarzehi Y. Kinetic and Mechanistic Insights into the Pathway Leading to Cyclic Crystalline Phosphorus Ylide Formation in the Presence of 3-Chloropentane-2,4-dione: Theoretical and Stopped-Flow Approaches International Journal of Chemical Kinetics. 45: 596-612. DOI: 10.1002/Kin.20797 |
0.325 |
|
| 2012 |
Kazemian MA, Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Jahani PM, Ghahramaninezhad M. A joint experimental and theoretical investigation of kinetics and mechanistic study in a synthesis reaction between triphenylphosphine and dialkyl acetylenedicarboxylates in the presence of benzhydrazide. Journal of Molecular Modeling. 18: 5075-88. PMID 22752542 DOI: 10.1007/S00894-012-1503-3 |
0.323 |
|
| 2012 |
KHORASSANI* SMH, MAGHSOODLUO M, EBRAHIMI A, GHALANDARZEHI Y, GHODSI F, ASHERI O. A Mechanistic Investigation of Stable Phosphonate Ester Derived from 3, 4 dichloro Aniline: A Kinetics Study and Theoretical Calculations Oriental Journal of Chemistry. 28: 1153-1169. DOI: 10.13005/Ojc/280310 |
0.318 |
|
| 2012 |
Ebrahimi A, Habibi-Khorassani M, Badichi Akher F, Farrokhzadeh A. The NHF Interactions in the X-Pyridazine Complexes: Substituent Effects and Energy Components Advances in Physical Chemistry. 2012: 1-9. DOI: 10.1155/2012/362608 |
0.428 |
|
| 2012 |
Ebrahimi A, Masoodi HR, Khorassani MH, Ghaleno MH. The influence of cation-π and anion-π interactions on the strength and nature of N⋯H hydrogen bond Computational and Theoretical Chemistry. 988: 48-55. DOI: 10.1016/J.Comptc.2012.02.027 |
0.429 |
|
| 2012 |
Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Ghahghayi Z, Ghasempour H. NMR study and AIM analysis for assignment of the two Z- and E-isomers in phosphorane containing a 2-thiazoline-2-thiol Arabian Journal of Chemistry. 5: 55-61. DOI: 10.1016/J.Arabjc.2010.07.023 |
0.35 |
|
| 2012 |
Karimi P, Ebrahimi A, Bazzi S. Cooperativity of CH/p and hydrogen bond interactions in HF.Py X 1benX2 complexes Journal of the Iranian Chemical Society. 9: 991-998. DOI: 10.1007/S13738-012-0117-0 |
0.405 |
|
| 2012 |
Habibi-Khorassani SM, Maghsoodlou MT, Ebrahimi A, Mohammadi M, Shahraki M, Aghdaei E. Dynamic 1
H NMR investigation along with a theoretical study around the C-C and C = C bonds in a particular phosphorus ylide Journal of Physical Organic Chemistry. 25: 1328-1335. DOI: 10.1002/Poc.3029 |
0.363 |
|
| 2011 |
Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Same-Salari S, Nasiri S, Ghasempour H. Dynamic 1H NMR study around the carbon-carbon single bond and partial carbon-carbon double bond in the two particular phosphorus ylides and in an enaminoester. Magnetic Resonance in Chemistry : Mrc. 49: 213-20. PMID 21387402 DOI: 10.1002/Mrc.2735 |
0.355 |
|
| 2011 |
Ebrahimi A, Habibi-Khorassani M, Bazzi S. The impact of protonation and deprotonation of 3-methyl-2'-deoxyadenosine on N-glycosidic bond cleavage. Physical Chemistry Chemical Physics : Pccp. 13: 3334-43. PMID 21267490 DOI: 10.1039/C0Cp01279C |
0.38 |
|
| 2011 |
Charati FR, Maghsoodlou MT, Habibi-Khorassani SM, Hazeri N, Ebrahimi A, Hossaini Z, Ebrahimi P, Maleki N, Adhamdoust SR, Farahani FV, Marandi G, Sobolev A, Makha M. Efficient synthesis of stable phosphonate ylides and phosphonate esters: reaction between activated acetylenes and triphenylphosphite in the presence of sulfonamide and heterocyclic NH-acids. Combinatorial Chemistry & High Throughput Screening. 14: 2-8. PMID 20673221 DOI: 10.2174/1386207311107010002 |
0.319 |
|
| 2011 |
Roohi H, Nowroozi AR, Ebrahimi A, Eshghi F, Ahmadepour E. Influence of HOCl⋯O3 and HOCl⋯HOCl interactions on the stability of O(HOCl)complexes: A theoretical study Molecular Simulation. 37: 386-393. DOI: 10.1080/08927022.2010.543979 |
0.371 |
|
| 2011 |
Ebrahimi A, Khorassani SH, Abedini S. The mutual relationship between H-bonding and π-stacking interactions: the estimation of individual binding energies in the phenylalanine:G ··· C ternary complex Molecular Physics. 109: 2049-2055. DOI: 10.1080/00268976.2011.609144 |
0.413 |
|
| 2011 |
Ebrahimi A, Habibi-Khorassani M, Haghani A. Effect of protonation on individual hydrogen bonds in the 8-oxoguanine-cytosine base pair: NMR, NBO and AIM analyses Molecular Physics. 109: 325-335. DOI: 10.1080/00268976.2010.521781 |
0.334 |
|
| 2011 |
Habibi-Khorassani S, Ebrahimi A, Maghsoodlou M, Khajehali Z, Zakarianezhad M. Theoretical, NMR study, kinetics and a mechanistic investigation of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and acetyl acetone Scientia Iranica. 18: 1332-1342. DOI: 10.1016/J.Scient.2011.08.011 |
0.326 |
|
| 2011 |
Ebrahimi A, Khorassani MH, Masoodi HR. Cation–π versus anion–π interactions: A theoretical NMR study Chemical Physics Letters. 504: 118-124. DOI: 10.1016/J.Cplett.2011.01.067 |
0.405 |
|
| 2011 |
Ebrahimi A, Habibi-Khorasani S, Jahantab M. Additivity of substituent effects on the proton affinity and gas-phase basicity of pyridines Computational and Theoretical Chemistry. 966: 31-37. DOI: 10.1016/J.Comptc.2011.02.008 |
0.4 |
|
| 2011 |
Ebrahimi A, Habibi-Khorassani M, Bazzi S. Effects of sugar ring puckering, anti-syn interconversion and intramolecular interactions on N-glycosidic bond cleavage in 3-methyl-2′-deoxyadenosine and 2′-deoxyadenosine Journal of the Iranian Chemical Society. 8: 908-918. DOI: 10.1007/Bf03246546 |
0.397 |
|
| 2011 |
Ebrahimi A, Habibi Khorassani M, Doosti M. Solvent effects on SN2 reaction between substituted benzyl chloride and chloride ion International Journal of Quantum Chemistry. 112: 873-881. DOI: 10.1002/Qua.23083 |
0.343 |
|
| 2011 |
Ebrahimi A, Habibi-Khorassani SM, Doosti M. Substituent effects on SN2 reaction between substituted benzyl chloride and chloride ion in gas phase International Journal of Quantum Chemistry. 111: 1013-1024. DOI: 10.1002/Qua.22474 |
0.39 |
|
| 2010 |
Ebrahimi A, Khorassani SMH, Delarami H, Esmaeeli H. The effect of CH 3 , F and NO 2 substituents on the individual hydrogen bond energies in the adenine–thymine and guanine–cytosine base pairs Journal of Computer-Aided Molecular Design. 24: 409-416. PMID 20352295 DOI: 10.1007/S10822-010-9348-2 |
0.397 |
|
| 2010 |
Habibi-Khorassani SM, Maghsoodlou MT, Ebrahimi A, Heydari R, Hazeri N, Kazemian MA, Nassiri M, Adrom B, Zakarianejad M. Theoretical study and synthesis of the reaction between triphenylphosphine, dialkyl acetylenedicarboxylates and 2-aminobenzimidazole, 2-hydroxy-3-nitropyridine or 1,2,3,4-tetrahydrocarbazole Collection of Czechoslovak Chemical Communications. 75: 785-805. DOI: 10.1135/Cccc2009523 |
0.387 |
|
| 2010 |
Habibi Khorassani SM, Ebrahimi A, Maghsoodlou MT, Ghahghayi Z, Ghasempour H, Kazemian MA. NMR study and AIM analysis for the ylide rotamers from the reaction between triphenylphosphine and dialkyl acetylenedicarboxylates in the presence of 2-mercapto-1-methylimidazole Journal of Sulfur Chemistry. 31: 153-160. DOI: 10.1080/17415991003736249 |
0.362 |
|
| 2010 |
Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Charati FR, Kazemian MA, Karimi P. A facile synthesis and theoretical study of novel stable heterocyclic phosphorus ylides containing a 2,4-dimethyl-3-acetyl moiety Phosphorus, Sulfur and Silicon and the Related Elements. 185: 559-566. DOI: 10.1080/10426500902845753 |
0.301 |
|
| 2010 |
Roohi H, Nowroozi Ar, Ebrahimi A, Makiabadi B. Effect of CH3CO functional group on the molecular and electronic properties of BN43zz nanotube: A computational chemistry study Journal of Molecular Structure: Theochem. 952: 36-45. DOI: 10.1016/J.Theochem.2010.04.013 |
0.424 |
|
| 2010 |
Ebrahimi A, Khorassani MH, Masoodi HR. The role of cation–π interactions in ethylenic complexes: A theoretical NMR study Chemical Physics Letters. 493: 27-32. DOI: 10.1016/J.Cplett.2010.04.064 |
0.357 |
|
| 2010 |
Ebrahimi A, Habibi-Khorassani M, Doosti M. F–H···N hydrogen bonds: Influence of substituent and hybridization of nitrogen on H-bond properties and two-bond 19F–15N spin–spin coupling constants (2hJF–N) Chemical Physics Letters. 491: 11-16. DOI: 10.1016/J.Cplett.2010.03.051 |
0.372 |
|
| 2010 |
Ebrahimi A, Khorasani SMH, Neyband RS. The O···H intramolecular hydrogen bond in 4‐X‐2‐hydroxybenzaldehydes: The relationships between geometrical parameters, estimated binding energies, and NMR data International Journal of Quantum Chemistry. 110: 1871-1879. DOI: 10.1002/Qua.22339 |
0.4 |
|
| 2010 |
Zakarianezhad M, Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Ghasempour H. NMR study, theoretical calculations for assignment of the Z- and E-isomers, and kinetics investigation of stable phosphorus ylides involving a 2-mercapto-4,6-dimethyl pyrimidine Heteroatom Chemistry. 21: 462-474. DOI: 10.1002/Hc.20632 |
0.371 |
|
| 2010 |
Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Kazemian MA, Moradian M. Kinetics and mechanism investigation of the reaction between triphenylphosphine, di-tert-butyl acetylenedicarboxilate and OH-acid Chinese Journal of Chemistry. 28: 719-726. DOI: 10.1002/Cjoc.201090137 |
0.317 |
|
| 2009 |
Ebrahimi A, Habibi M, Neyband RS, Gholipour AR. Cooperativity of pi-stacking and hydrogen bonding interactions and substituent effects on X-ben//pyr...H-F complexes. Physical Chemistry Chemical Physics : Pccp. 11: 11424-31. PMID 20024412 DOI: 10.1039/B912419E |
0.442 |
|
| 2009 |
Kabiri R, Hazeri N, Khorassani SMH, Maghsoodlou MT, Ebrahimi A, Saghatforoush L, Marandi G, Razmjoo Z. Synthesis, dynamic 1H NMR and theoretical study of aryl-nitrogen single bond rotational energy barriers in highly functionalized 4H-chromenes Arkivoc. 2008. DOI: 10.3998/Ark.5550190.0009.H02 |
0.368 |
|
| 2009 |
Kazemian MA, Karimi P, Habibi-Khorassani SM, Ebrahimi A, Maghsoodlou MT, Milani FJ. Synthesis of stable phosphorus ylides from 6-chloro-2-benzoxazolinone and kinetic investigation of the reactions by uv spectrophotometry Progress in Reaction Kinetics and Mechanism. 34: 77-96. DOI: 10.3184/146867809X413238 |
0.329 |
|
| 2009 |
Mohammadi M, Ebrahimi A, Habibi M, Ehteshami H. Antiaromaticity affects on the response of single walled armchair carbon nanotube to tension Journal of Molecular Structure: Theochem. 895: 72-76. DOI: 10.1016/J.Theochem.2008.10.020 |
0.301 |
|
| 2009 |
Habibi-Khorassani SM, Maghsoodlou MT, Ebrahimi A, Farahani FV, Mosaddeg E, Kazemian MA. Dynamic 1H NMR study around the heteroaryl–carbon and carbon–carbon single bonds and also around carbon–carbon double bond in a particular phosphorous ylide involving a 2-methyl indole Tetrahedron Letters. 50: 3621-3624. DOI: 10.1016/J.Tetlet.2009.03.070 |
0.357 |
|
| 2009 |
Masoodi HR, Ebrahimi A, Habibi M. The effect of carbon hybridization and halogen-acceptor type on some calculated NMR data in C−X⋯H−F hydrogen bonds Chemical Physics Letters. 483: 43-48. DOI: 10.1016/J.Cplett.2009.10.057 |
0.348 |
|
| 2009 |
Ebrahimi A, Habibi M, Masoodi HR. The role of H⋯π interaction on some calculated NMR data Chemical Physics Letters. 478: 120-126. DOI: 10.1016/J.Cplett.2009.07.069 |
0.42 |
|
| 2009 |
Ebrahimi A, Habibi Khorassani S, Delarami H. Estimation of individual binding energies in some dimers involving multiple hydrogen bonds using topological properties of electron charge density Chemical Physics. 365: 18-23. DOI: 10.1016/J.Chemphys.2009.09.013 |
0.396 |
|
| 2009 |
Ebrahimi A, Habibi M, Masoodi HR, Gholipour AR. Relationship between calculated NMR data and intermolecular hydrogen bond properties in X-pyridine⋯HF Chemical Physics. 355: 67-72. DOI: 10.1016/J.Chemphys.2008.11.004 |
0.423 |
|
| 2009 |
Ebrahimi A, Habibi-Khorassani M, Gholipour AR, Masoodi HR. Interaction between uracil nucleobase and phenylalanine amino acid: the role of sodium cation in stacking Theoretical Chemistry Accounts. 124: 115-122. DOI: 10.1007/S00214-009-0588-Y |
0.423 |
|
| 2009 |
Ebrahimi A, Habibi SM, Neyband RS. Substituent effect on intramolecular hydrogen bonding in 2-hydroxybenzaldehyde International Journal of Quantum Chemistry. 109: 1274-1282. DOI: 10.1002/Qua.21947 |
0.403 |
|
| 2009 |
Ebrahimi A, Habibi M, Hesabi N. Development of eclipsed and staggered forms in some hydrogen bonded complexes International Journal of Quantum Chemistry. 109: 629-638. DOI: 10.1002/Qua.21850 |
0.356 |
|
| 2008 |
Kazemian MA, Nassiri M, Ebrahimi A, Maghsoodlou MT, Habibi-Khorassani SM, Vasheghani-Farahani F. A facile synthesis, dynamic 1 H NMR, and theoretical study of novel stable heterocyclic phosphorus ylides containing a tetrazole ring Arkivoc. 2008. DOI: 10.3998/Ark.5550190.0009.H16 |
0.301 |
|
| 2008 |
Ebrahimi A, Habibi M, Sayyad O. Anion–π interactions: CP-corrected vs. standard optimisation, AIM and NBO analyses Molecular Simulation. 34: 689-697. DOI: 10.1080/08927020802123506 |
0.404 |
|
| 2008 |
Ebrahimi A, Habibi M, Sayyadi O. Interaction between some anions and deficient olefinic and aromatic centers Journal of Molecular Structure: Theochem. 859: 46-50. DOI: 10.1016/J.Theochem.2008.03.002 |
0.424 |
|
| 2008 |
Ebrahimi A, Habibi S, Sanati A, Mohammadi M. A comparison of C–C rotational barrier in [2]staffane, [2]tetrahedrane and ethane Chemical Physics Letters. 466: 32-36. DOI: 10.1016/J.Cplett.2008.10.037 |
0.393 |
|
| 2007 |
Ebrahimi A, Habibi M, Masoodi HR. Comparison between standard and counterpoise-corrected optimization using some hydrogen and halogen bonded systems Molecular Physics. 105: 2259-2268. DOI: 10.1080/00268970701537939 |
0.371 |
|
| 2007 |
Ebrahimi A, Habibi M, Amirmijani A. The study of counterion effect on the reactivity of nucleophiles in some SN2 reactions in gas phase and solvent media Journal of Molecular Structure: Theochem. 809: 115-124. DOI: 10.1016/J.Theochem.2007.01.037 |
0.352 |
|
| 2007 |
Ebrahimi A, Habibi M, Masoodi HR. Theoretical study of the influence of para- and meta-substituents on X-pyridine⋯HF hydrogen bonding Chemical Physics. 340: 85-92. DOI: 10.1016/J.Chemphys.2007.08.012 |
0.396 |
|
| 2006 |
Roohi H, Ebrahimi A, Habibi SM, Jarahi E. NBO and AIM analyses of the anomeric effect in fluoromethanthiol Journal of Molecular Structure-Theochem. 772: 65-73. DOI: 10.1016/J.Theochem.2006.06.019 |
0.398 |
|
| 2006 |
Ebrahimi A, Roohi H, Habibi M, Karimian T, Vaziri R. Topological and natural population analyses of gas-phase identity SN2 reactions of some methyl halides: Backside attack Chemical Physics Letters. 419: 179-183. DOI: 10.1016/J.Cplett.2005.10.154 |
0.329 |
|
| 2006 |
Ebrahimi A, Roohi H, Habibi M, Hasannejad M. Determination of gas-phase nucleophilicities and electrophilicities using B⋯HX bond critical point properties of AIM analysis Chemical Physics. 327: 368-372. DOI: 10.1016/J.Chemphys.2006.05.009 |
0.403 |
|
| 2006 |
Ebrahimi A, Roohi H, Habibi M, Mohammadi M, Vaziri R. Characterization of conformers of non-ionized proline on the basis of topological and NBO analyses: Can nitrogen be a donor of hydrogen bond? Chemical Physics. 322: 289-297. DOI: 10.1016/J.Chemphys.2005.08.039 |
0.393 |
|
| 2006 |
Khorassani SMH, Maghsoodlou MT, Ebrahimi A, Roohi H, Zakarianezhad M. UV Spectrophotometric Study of the Kinetics and Mechanism of the Reactions between Triphenylphosphine, Dialkyl Acetylenedicarboxylates and NH-Acid Journal of the Iranian Chemical Society. 3: 223-232. DOI: 10.1007/Bf03247212 |
0.308 |
|
| 2005 |
Roohi H, Ebrahimi A. Anomeric effect and rotational barrier in fluoromethanol: A theoretical study Journal of Molecular Structure: Theochem. 726: 141-148. DOI: 10.1016/J.Theochem.2005.04.005 |
0.373 |
|
| 2005 |
Roohi H, Deyhimi F, Ebrahimi A, Khanmohammady A. Restricted rotation in six-membered cyclic nitrosamine compounds: an ab initio and DFT study and NBO analysis Journal of Molecular Structure: Theochem. 718: 123-132. DOI: 10.1016/J.Theochem.2005.01.001 |
0.398 |
|
| 2005 |
Roohi H, Ebrahimi A, Alirezapoor F, Hajealirezahi M. AIM and NBO analyses of N–N rotational barrier in monocyclic nitrosamine compounds Chemical Physics Letters. 409: 212-218. DOI: 10.1016/J.Cplett.2005.05.022 |
0.37 |
|
| 2004 |
Ebrahimi A, Roohi H, Habibi SM, Behboodi L. The dimers of trimethylene sulfide with some hydrogen and halogen bond donors: a theoretical study Journal of Molecular Structure: Theochem. 712: 159-166. DOI: 10.1016/J.Theochem.2004.10.015 |
0.449 |
|
| 2004 |
Roohi H, Ebrahimi A, Habibi S. Quantum mechanical study of tautomerism of methimazole and the stability of methimazole–I2 complexes Journal of Molecular Structure: Theochem. 710: 77-84. DOI: 10.1016/J.Theochem.2004.09.005 |
0.441 |
|
| 2004 |
Ebrahimi A, Roohi H, Mostafa Habibi S. The characterization of stationary points in the potential energy surface of difluoromethane dimer Journal of Molecular Structure: Theochem. 684: 87-93. DOI: 10.1016/J.Theochem.2004.07.021 |
0.432 |
|
| 2003 |
Ebrahimi A, Deyhimi F, Roohi H. Natural bond orbital (NBO) population analysis of the highly strained central bond in [1.1.1]propellane and some [1.1.1]heteropropellane compounds Journal of Molecular Structure: Theochem. 626: 223-229. DOI: 10.1016/S0166-1280(03)00106-4 |
0.391 |
|
| 2001 |
Ebrahimi A, Deyhimi F, Roohi H. Alkyl migration in vinylidene–acetylene rearrangement reactions: investigation of structural, activation thermodynamic energies and kinetics properties by density functional theory based method Journal of Molecular Structure: Theochem. 546: 207-215. DOI: 10.1016/S0166-1280(01)00447-X |
0.32 |
|
| 2001 |
Roohi H, Deyhimi F, Ebrahimi A. Erratum to “Ab initio calculations of energetic and structural properties of the single-atom peri-bridged naphthalene compounds” Journal of Molecular Structure: Theochem. 540: 285. DOI: 10.1016/S0166-1280(01)00417-1 |
0.316 |
|
| 2001 |
Roohi H, Deyhimi F, Ebrahimi A. Restricted rotation in five-membered cyclic nitrosamine compounds: DFT investigation of structural, energetic and kinetics properties Journal of Molecular Structure: Theochem. 543: 299-308. DOI: 10.1016/S0166-1280(01)00366-9 |
0.395 |
|
| 2001 |
Ebrahimi A, Deyhimi F, Roohi H. Nitrogen-inversion in some aziridine type compounds: structural and kinetic investigations by ab initio methods Journal of Molecular Structure: Theochem. 535: 247-256. DOI: 10.1016/S0166-1280(00)00583-2 |
0.367 |
|
| 2000 |
Ebrahimi A, Deyhimi F, Roohi H. Investigation of structural properties of heteropropellane compounds by ab initio methods Journal of Chemical Research. 2000: 93-95. DOI: 10.3184/030823400103166517 |
0.328 |
|
| 2000 |
Roohi H, Deyhimi F, Ebrahimi A. Ab initio calculations of energetic and structural properties of the single-atom peri-bridged naphthalene compounds Journal of Molecular Structure: Theochem. 532: 51-58. DOI: 10.1016/S0166-1280(00)00501-7 |
0.352 |
|
| Show low-probability matches. |