I. Rostov

Most-cited papers

1. Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYP.

   I. Rostov, R. Amos, R. Kobayashi, G. Scalmani +1 more

   2010Journal of Physical Chemistry B90 citations

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2. Continuum level treatment of electronic polarization in the framework of molecular simulations of solvation effects

   I. Leontyev, M. Vener, I. Rostov, M. Basilevsky +1 more

   200365 citations

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3. A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies. 2: Evaluation of solvent reorganization energies

   M. Newton, M. Basilevsky, I. Rostov

   199850 citations

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4. A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies

   M. Basilevsky, I. Rostov, M. Newton

   199846 citations

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5. Quantum-chemical evaluation of energy quantities governing electron transfer kinetics: applications to intramolecular processes

   M. Basilevsky, G. Chudinov, I. Rostov, Yi-Ping Liu +1 more

   199635 citations

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6. A theoretical investigation of charge transfer in several substituted acridinium ions.

   Jason W Lappe, R. J. Cave, M. Newton, I. Rostov

   2005Journal of Physical Chemistry B34 citations

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7. Comparing long-range corrected functionals in the cis–trans isomerisation of the retinal chromophore

   I. Rostov, R. Kobayashi, R. Amos

   201218 citations

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8. Theoretical formulation for electron transfer coupled to multiple protons: Application to amidinium-carboxylate interfaces

   I. Rostov, S. Hammes-Schiffer

   200116 citations

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9. Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents

   I. Leontyev, A. Tovmash, M. Vener, I. Rostov +1 more

   200514 citations

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10. Molecular simulations of outersphere reorganization energies in polar and quadrupolar solvents. The case of intramolecular electron and hole transfer.

    M. Vener, A. Tovmash, I. Rostov, Mikhail V. Basilevsky

    2006Journal of Physical Chemistry B12 citations

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11. Calculation of a Complete Enzymic Reaction Surface: Reaction and Activation Free Energies for Hydride-Ion Transfer in Dihydrofolate Reductase.

    Peter L. Cummins, I. Rostov, J. Gready

    2007Journal of Chemical Theory and Computation9 citations

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12. A two-dimensional Born–Oppenheimer treatment of intramolecular electron transfer reactions

    M. Basilevsky, I. Rostov, M. Newton

    19986 citations

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13. A correlated ab initio quantum chemical study of the interaction of the Na+, Mg2+, Ca2+ and Zn2+ ions with the tautomers of cytosine in the presence of polar solvent.

    I. Rostov, R. Kobayashi

    2013Physical Chemistry, Chemical Physics - PCCP5 citations

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14. Semiempirical modeling free energy surfaces for proton transfer in polar aprotic solvents

    M. Vener, I. Rostov, A. Soudackov, M. Basilevsky

    20004 citations

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15. Advanced dielectric continuum models of solvation, their connection to microscopic solvent models, and application to electron transfer reactions

    I. Rostov, M. Basilevsky, M. Newton

    19994 citations Open access

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16. Simulations of enzyme reaction mechanisms in active sites: Accounting for an environment which is much more than a solvent perturbation

    J. Gready, I. Rostov, Peter L. Cummins

    20060 citations

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17. Erratum to “A two-dimensional Born–Oppenheimer treatment of intramolecular electron transfer reactions”

    M. Basilevsky, I. Rostov, M. Newton

    19990 citations

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18. THE MECHANISM OF CATALYTIC ACTION OF WATER IN LIQUID-PHASE CHLORINATION OFOLEFINS

    V. A. Tikhomirov, V. Smirnov, I. Rostov

    19960 citations

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19. TRANSITION STATES IN CHLORINATION OF OLEFINS IN THE GAS AND LIQUID PHASES

    V. A. Tikhomirov, A. Sudakov, I. Rostov, M. Bazilevskii +1 more

    19960 citations

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