List of works - Sergey A. Varganov

A generalized Poisson equation and short-range self-interaction energies

scientific article published in June 2008

A study of the reactions of molecular hydrogen with small gold clusters

scientific article published on 01 March 2004

Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2.

scientific article

Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations

scientific article published in September 2017

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers

scientific article

Chiral Peropyrene: Synthesis, Structure, and Properties

scientific article

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site

scientific article

Electronic Transitions Responsible for C60+ Diffuse Interstellar Bands

scientific article published on 21 December 2018

Erratum: "Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers" [J. Chem. Phys. 140, 184315 (2014)].

scientific article published in November 2017

Full Visible Spectrum and White Light Emission with a Single, Input-Tunable Organic Fluorophore

scientific article published on 17 November 2020

In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations

scientific article published on 02 December 2019

Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane.

scientific article published on 6 November 2014

Intersystem crossing in tunneling regime: T1 → S0 relaxation in thiophosgene

scientific article published on 01 March 2020

Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.

scientific article published on 28 February 2018

Locating Minimum Energy Crossings of Different Spin States Using the Fragment Molecular Orbital Method

scientific article published on 10 October 2019

Multireference second-order perturbation theory: how size consistent is "almost size consistent".

scientific article published in January 2005

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

scientific article published in 2022

Nonadiabatic transition state theory and trajectory surface hopping dynamics: intersystem crossing between (3)B1 and (1)A1 states of SiH2.

scientific article

Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics

scientific article published on 13 March 2018

Resolutions of the Coulomb operator

scientific article published on 01 May 2008

Septulene: the heptagonal homologue of kekulene

scientific article published on 12 October 2012

Special issue on excited states in complex systems

scientific article published on 27 March 2016

Spin controlled surface chemistry: alkyl desorption from Si(100)-2×1 by nonadiabatic hydrogen elimination

scientific article published on 14 July 2020

Spin-Forbidden Transitions between Electronic States in the Active Site of Rubredoxin

scientific article published on 14 October 2016

Variational geminal-augmented multireference self-consistent field theory: two-electron systems

scientific article published in February 2010

Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?

scientific article published in January 2005

List of works by Sergey A. Varganov

A generalized Poisson equation and short-range self-interaction energies

A study of the reactions of molecular hydrogen with small gold clusters

Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2.

Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers

Chiral Peropyrene: Synthesis, Structure, and Properties

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site

Electronic Transitions Responsible for C60+ Diffuse Interstellar Bands

Erratum: "Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers" [J. Chem. Phys. 140, 184315 (2014)].

Full Visible Spectrum and White Light Emission with a Single, Input-Tunable Organic Fluorophore

In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations

Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane.

Intersystem crossing in tunneling regime: T1 → S0 relaxation in thiophosgene

Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.

Locating Minimum Energy Crossings of Different Spin States Using the Fragment Molecular Orbital Method

Multireference second-order perturbation theory: how size consistent is "almost size consistent".

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

Nonadiabatic transition state theory and trajectory surface hopping dynamics: intersystem crossing between (3)B1 and (1)A1 states of SiH2.

Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics

Resolutions of the Coulomb operator

Septulene: the heptagonal homologue of kekulene

Special issue on excited states in complex systems

Spin controlled surface chemistry: alkyl desorption from Si(100)-2×1 by nonadiabatic hydrogen elimination

Spin-Forbidden Transitions between Electronic States in the Active Site of Rubredoxin

Variational geminal-augmented multireference self-consistent field theory: two-electron systems

Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?