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Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8824-8830

Slipchenko, Lyudmila V

2010

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Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database

Journal of chemical theory and computation, 2020-12, Vol.16 (12), p.7735-7747

2020

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Extension of the Effective Fragment Potential Method to Macromolecules

The journal of physical chemistry. B, 2016-07, Vol.120 (27), p.6562-6574

2016

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Assessing cholesterol storage in live cells and C. elegans by stimulated Raman scattering imaging of phenyl-Diyne cholesterol

Scientific reports, 2015-01, Vol.5 (1), p.7930-7930, Article 7930

2015

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Polarizable embedding for simulating redox potentials of biomolecules

Physical chemistry chemical physics : PCCP, 2019-06, Vol.21 (22), p.11642-1165

2019

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Conformationally Locked Chromophores as Models of Excited-State Proton Transfer in Fluorescent Proteins

Journal of the American Chemical Society, 2012-04, Vol.134 (13), p.6025-6032

2012

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Damping functions in the effective fragment potential method

Molecular physics, 2009-04, Vol.107 (8-12), p.999-1016

2009

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Atmospheric Significance of Water Clusters and Ozone–Water Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10381-10396

2013

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Water−Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (10), p.2092-2102

2009

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Detangling Solvatochromic Effects by the Effective Fragment Potential Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-01, Vol.128 (3), p.656-669

Slipchenko, Lyudmila V.

2024

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Impact of Peripheral Hydrogen Bond on Electronic Properties of the Primary Acceptor Chlorophyll in the Reaction Center of Photosystem I

International journal of molecular sciences, 2024-05, Vol.25 (9), p.4815

2024

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Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

The Journal of chemical physics, 2009-01, Vol.130 (4), p.044103-044103

2009

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Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer

Journal of computational chemistry, 2007-01, Vol.28 (1), p.276-291

2007

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Systematic Study of the Embedding Potential Description in the Fragment Molecular Orbital Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-08, Vol.114 (33), p.8742-8753

2010

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A new structural arrangement in proteins involving lysine NH3 + group and carbonyl

Scientific reports, 2017-11, Vol.7 (1), p.1-8, Article 16402

2017

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Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides

The Journal of chemical physics, 2013-02, Vol.138 (7), p.074111-074111

2013

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Effective Fragment Potential Study of the Interaction of DNA Bases

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (41), p.11269-11276

2011

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The dispersion interaction between quantum mechanics and effective fragment potential molecules

The Journal of chemical physics, 2012-06, Vol.136 (24), p.244107-244107

2012

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Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study

The Journal of chemical physics, 2014-09, Vol.141 (10), p.104315-104315

2014

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Vibronic coupling in asymmetric bichromophores: theory and application to diphenylmethane

The Journal of chemical physics, 2012-08, Vol.137 (8), p.084112-084112

2012

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Fragmentation Methods: A Route to Accurate Calculations on Large Systems

Chemical reviews, 2012-01, Vol.112 (1), p.632-672

2012

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Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-02, Vol.115 (4), p.392-401

2011

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Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet

The journal of physical chemistry. B, 2023-05, Vol.127 (20), p.4658-4665

2023

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Interactions between halide anions and a molecular hydrophobic interface

Faraday discussions, 2013-01, Vol.16, p.255-27

2013

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Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example

The journal of physical chemistry letters, 2023-08, Vol.14 (31), p.7038-7044

2023

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Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization

Effective Fragment Potentials for Flexible Molecules: Transferability of Parameters and Amino Acid Database

Extension of the Effective Fragment Potential Method to Macromolecules

Assessing cholesterol storage in live cells and C. elegans by stimulated Raman scattering imaging of phenyl-Diyne cholesterol

Polarizable embedding for simulating redox potentials of biomolecules

Conformationally Locked Chromophores as Models of Excited-State Proton Transfer in Fluorescent Proteins

Damping functions in the effective fragment potential method

Atmospheric Significance of Water Clusters and Ozone–Water Complexes

Water−Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study

Detangling Solvatochromic Effects by the Effective Fragment Potential Method

Impact of Peripheral Hydrogen Bond on Electronic Properties of the Primary Acceptor Chlorophyll in the Reaction Center of Photosystem I

Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples

Electrostatic energy in the effective fragment potential method: Theory and application to benzene dimer

Systematic Study of the Embedding Potential Description in the Fragment Molecular Orbital Method

A new structural arrangement in proteins involving lysine NH3 + group and carbonyl

Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides

Effective Fragment Potential Study of the Interaction of DNA Bases

The dispersion interaction between quantum mechanics and effective fragment potential molecules

Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study

Vibronic coupling in asymmetric bichromophores: theory and application to diphenylmethane

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study

Ion-Size Dependent Adsorption Crossover on the Surface of a Water Droplet

Interactions between halide anions and a molecular hydrophobic interface

Predicting Mutation-Induced Changes in the Electronic Properties of Photosynthetic Proteins from First Principles: The Fenna–Matthews–Olson Complex Example

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