| MNDO calculations on hydrogen bonds. Modified function for core-core repulsion KY Burstein, AN Isaev Theoretica chimica acta 64, 397-401, 1984 | 141 | 1984 |
| Proton conduction by a chain of water molecules in carbonic anhydrase A Isaev, S Scheiner The Journal of Physical Chemistry B 105 (27), 6420-6426, 2001 | 44 | 2001 |
| A modification of the MNDO method for calculating systems containing hydrogen bonds KY Burshtein, AN Isaev Zh. Strukt. Khim. 25 (1), 25-30, 1984 | 24 | 1984 |
| Intermolecular charge transfer as evidence for unusual O–H⋯ C (sp3) hydrogen bond AN Isaev Computational and Theoretical Chemistry 1090, 180-192, 2016 | 22 | 2016 |
| Semiempirical and ab initio calculations on geometry and stability of intermediates. Stability of intermediates for nucleophilic reactions of carbonyl compounds in the gas … KY Burshtein, AN Isaev Journal of Molecular Structure: THEOCHEM 133, 263-268, 1985 | 13 | 1985 |
| CONFORMATION OF ETHYLENEDIAMINE IN GAS-PHASE AND AQUEOUS-SOLUTIONS MN Rodnikova, AN Isaev, SA Zasypkin KOORDINATSIONNAYA KHIMIYA 17 (11), 1467-1472, 1991 | 12 | 1991 |
| Ammonia and phosphine complexes with proton donors. Hydrogen bonding from the backside of the N (P) lone pair AN Isaev Computational and Theoretical Chemistry 1142, 28-38, 2018 | 11 | 2018 |
| Two kinds of XH⋯ C (sp3) hydrogen bond formed by the methide anion: Syn-and anti-orientation of monomers AN Isaev Computational and Theoretical Chemistry 1117, 141-149, 2017 | 11 | 2017 |
| Electrostatic control of proton-transfer reaction in the active site of carbonic anhydrase AN Isaev Journal of Molecular Structure: THEOCHEM 582 (1-3), 195-203, 2002 | 11 | 2002 |
| Модификация метода МПДП для расчета систем с водородными связями КЯ Бурштейн, АН Исаев Журнал Структурной Химии 25 (1), 25-30, 1984 | 11 | 1984 |
| O–H··· C hydrogen bond in the methane–water complex AN Isaev Russian Journal of Physical Chemistry A 90, 1978-1985, 2016 | 9 | 2016 |
| CH⋯ O, OH⋯ C, and CH⋯ C interactions in complexes of carbocations and carboanions AN Isaev Russian Journal of Inorganic Chemistry 58 (7), 817-823, 2013 | 9 | 2013 |
| σ π Interaction in some σ-bonded allyl compounds. A MNDO study KY Burshtein, AN Isaev, PP Shorygin Journal of organometallic chemistry 361 (1), 21-25, 1989 | 9 | 1989 |
| Periodicity in proton conduction along a H‐bonded chain. Application to biomolecules A Isaev, T Kar, S Scheiner International Journal of Quantum Chemistry 108 (3), 607-616, 2008 | 8 | 2008 |
| Nonconventional C (sp3)⋯ Cl halogen bond in complexes of alkyl carbanions AN Isaev Chemical Physics Letters 763, 138195, 2021 | 7 | 2021 |
| Quantum-chemical calculations of a long proton wire. Application of a harmonic model to analysis of the structure of an ionic defect in a water chain with an excess proton AN Isaev The Journal of Physical Chemistry A 114 (5), 2201-2212, 2010 | 7 | 2010 |
| Effect of structural relaxation on the binding energy in a molecular complex. The role of relaxation in the formation of intermediate for nucleophilic reactions of carbonyl … AN Isaev Journal of Molecular Structure: THEOCHEM 490 (1-3), 249-262, 1999 | 7 | 1999 |
| Hydrogen bonded С–H··· Y (Y= O, S, Hal) molecular complexes: A natural bond orbital analysis AN Isaev Russian Journal of Physical Chemistry A 90, 601-609, 2016 | 6 | 2016 |
| On the question of hydrogen bond proton transfer AN Isaev Russian Journal of Physical Chemistry A 86, 69-74, 2012 | 6 | 2012 |
| Interaction through space and through a valence bond allyl compounds present in p-complex and a-Structure AN Isaev, PP Shorkin Zhurnal fizicheskoi khimii 67 (3), 514, 1993 | 5 | 1993 |
