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Browsing by Author Rostov, Ivan

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A Theoretical Investigation of Charge Transfer in Several Substituted Acridinium Ions

Author(s)Lappe, Jason; Cave, Robert J; Newton, Marshall D, et al
TypeJournal article
Date Published2005
Date Created-

Calculation of a complete enzymic reaction surface: Reaction and activation free energies for hydride-ion transfer in dihyrofolate reductase

Author(s)Cummins, Peter; Rostov, Ivan; Gready, Jill
TypeJournal article
Date Published2007
Date Created-

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

Author(s)Rostov, Ivan; Kobayashi, Rika; Amos, Roger
TypeJournal article
Date Published2012
Date Created-

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

Author(s)Leontyev, I V; Vener, M V; Rostov, Ivan, et al
TypeJournal article
Date Published2003
Date Created-

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

Author(s)Leontyev, I V; Tovmash, A V; Vener, M V, et al
TypeJournal article
Date Published2005
Date Created-

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

Author(s)Vener, M V; Tovmash, A V; Rostov, Ivan, et al
TypeJournal article
Date Published2006
Date Created-

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

Author(s)Gready, Jill; Rostov, Ivan; Cummins, Peter
TypeBook chapter
Date Published2006
Date Created-

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

Author(s)Rostov, Ivan; Amos, Roger; Kobayashi, Rika, et al
TypeJournal article
Date Published2010
Date Created-
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