List of works - Vitaly A. Rassolov

1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement

scientific article published in December 2006

Absorption spectrum, mass spectrometric properties, and electronic structure of 1,2-benzoquinone

scientific article

Advances in methods and algorithms in a modern quantum chemistry program package.

scientific article

Binuclear Aromatic C-H Bond Activation at a Dirhenium Site

scientific article published on 8 December 2015

Binuclear Aromatic C−H Bond Activation at a Dirhenium Site

scientific article published on 8 December 2015

Bohmian dynamics on subspaces using linearized quantum force

scientific article published in April 2004

ChemInform Abstract: Crystal Growth of Two New Niobates, La2KNbO6and Nd2KNbO6: Structural, Dielectric, Photophysical, and Photocatalytic Properties

scientific article published on 19 August 2008

Correction to Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π–π Stacking, 1,8-Naphthalimide Synthon

scientific article published on 16 May 2011

Crystal Growth of Two New Niobates, La2KNbO6and Nd2KNbO6: Structural, Dielectric, Photophysical, and Photocatalytic Properties

scientific article published in May 2008

Crystal growth of two new photoluminescent oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11.

scientific article

Description of electronic excited states using electron correlation operator

scientific article published in September 2013

Dynamic Rotation of Bridging Aryl Ligands in Unsaturated Metal Carbonyl Cluster Complexes

Dynamics in the quantum/classical limit based on selective use of the quantum potential

scientific article published in December 2014

Energy conserving approximations to the quantum potential: dynamics with linearized quantum force

scientific article published in January 2004

Estimation of the Ground State Energy of an Atomic Solid by Employing Quantum Trajectory Dynamics with Friction

scientific article published in July 2015

Extension of Gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga–Kr

scientific article published in June 2001

Facile CH Bond Formation by Reductive Elimination at a Dinuclear Metal Site

scientific article published on 21 August 2014

Fluorescence Polarization Measurements to Probe Alignment of a Bithiophene Dye in One-Dimensional Channels of Self-Assembled Phenylethynylene Bis-Urea Macrocycle Crystals

article published in 2017

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

scientific article (publication date: 8 November 1998)

Geminal model chemistry II. Perturbative corrections

scientific article published on 8 June 2004

Geminal model chemistry III: Partial spin restriction

scientific article published on 21 June 2007

Geminal model chemistry. IV. Variational and size consistent pure spin states

scientific article published in July 2007

Harmonic electron correlation operator

scientific article published on July 2011

Highly organized structures and unusual magnetic properties of paddlewheel copper(II) carboxylate dimers containing the pi-pi stacking, 1,8-naphthalimide synthon

scientific article published in September 2009

Local spin from strongly orthogonal geminal wavefunctions

scientific article published on 28 July 2014

Modified quantum trajectory dynamics using a mixed wave function representation

scientific article published on 8 November 2004

Multicenter transformations of the methyl ligand in CH3Os3Au carbonyl cluster complexes: Synthesis, characterization and DFT analyses

scientific article published in June 2016

OH Radical as a Probe of the Spin Polarizability in 1- and 2-Naphthol

scientific article published on 7 April 2018

Oxygen Anion Solubility as a Factor in Molten Flux Crystal Growth, Synthesis, and Characterization of Four New Reduced Lanthanide Molybdenum Oxides: Ce4.918(3)Mo3O16, Pr4.880(3)Mo3O16, Nd4.910(3)Mo3O16, and Sm4.952(3)Mo3O16

scientific article published on 6 July 2016

Quantum Trajectory Dynamics Based on Local Approximations to the Quantum Potential and Force

scientific article published on 06 June 2019

Quantum Trajectory Dynamics in Arbitrary Coordinates†

scientific article published in April 2006

SS(p)G: a strongly orthogonal geminal method with relaxed strong orthogonality

scientific article published in October 2014

Semiclassical Bohmian Dynamics

scientific article published on 23 September 2010

Semiclassical electron correlation operator

scientific article published on 28 November 2009

Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(P3,D1)+H2 system

scientific article published on 28 June 2006

Semiclassical nonadiabatic dynamics using a mixed wave-function representation

scientific article published in November 2005

Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks

scientific article published on 11 April 2022

Stabilization of quantum energy flows within the approximate quantum trajectory approach

scientific article published on 3 August 2007

Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems

scientific article published in July 2008

Supramolecular structural variations with changes in anion and solvent in silver(I) complexes of a semirigid, bitopic tris(pyrazolyl)methane ligand

scientific article published in January 2004

Symmetrization of the nuclear wavefunctions defined by the quantum trajectory dynamics

scientific article published on 15 November 2016

Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups

scientific article published on 27 September 2016

Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands

article published in 2012

Tetraruthenium carbonyl complexes containing germyl and stannyl ligands from the reactions of Ru4(CO)13(μ-H)2 with HGePh3 and HSnPh3

The definition of core electrons

The electronic mean field configuration interaction method: III – the p -orthogonality constraint

scientific article published in February 2010

The stable pentamethylcyclopentadienyl cation

scientific article published in April 2002

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn

scientific article published on 14 April 2008

List of works by Vitaly A. Rassolov

1,8-Naphthalimide Synthon in Silver Coordination Chemistry: Control of Supramolecular Arrangement

Absorption spectrum, mass spectrometric properties, and electronic structure of 1,2-benzoquinone

Advances in methods and algorithms in a modern quantum chemistry program package.

Binuclear Aromatic C-H Bond Activation at a Dirhenium Site

Binuclear Aromatic C−H Bond Activation at a Dirhenium Site

Bohmian dynamics on subspaces using linearized quantum force

ChemInform Abstract: Crystal Growth of Two New Niobates, La2KNbO6and Nd2KNbO6: Structural, Dielectric, Photophysical, and Photocatalytic Properties

Correction to Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π–π Stacking, 1,8-Naphthalimide Synthon

Crystal Growth of Two New Niobates, La2KNbO6and Nd2KNbO6: Structural, Dielectric, Photophysical, and Photocatalytic Properties

Crystal growth of two new photoluminescent oxides: Sr3Li6Nb2O11 and Sr3Li6Ta2O11.

Description of electronic excited states using electron correlation operator

Dynamic Rotation of Bridging Aryl Ligands in Unsaturated Metal Carbonyl Cluster Complexes

Dynamics in the quantum/classical limit based on selective use of the quantum potential

Energy conserving approximations to the quantum potential: dynamics with linearized quantum force

Estimation of the Ground State Energy of an Atomic Solid by Employing Quantum Trajectory Dynamics with Friction

Extension of Gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga–Kr

Facile CH Bond Formation by Reductive Elimination at a Dinuclear Metal Site

Fluorescence Polarization Measurements to Probe Alignment of a Bithiophene Dye in One-Dimensional Channels of Self-Assembled Phenylethynylene Bis-Urea Macrocycle Crystals

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

Geminal model chemistry II. Perturbative corrections

Geminal model chemistry III: Partial spin restriction

Geminal model chemistry. IV. Variational and size consistent pure spin states

Harmonic electron correlation operator

Highly organized structures and unusual magnetic properties of paddlewheel copper(II) carboxylate dimers containing the pi-pi stacking, 1,8-naphthalimide synthon

Local spin from strongly orthogonal geminal wavefunctions

Modified quantum trajectory dynamics using a mixed wave function representation

Multicenter transformations of the methyl ligand in CH3Os3Au carbonyl cluster complexes: Synthesis, characterization and DFT analyses

OH Radical as a Probe of the Spin Polarizability in 1- and 2-Naphthol

Oxygen Anion Solubility as a Factor in Molten Flux Crystal Growth, Synthesis, and Characterization of Four New Reduced Lanthanide Molybdenum Oxides: Ce4.918(3)Mo3O16, Pr4.880(3)Mo3O16, Nd4.910(3)Mo3O16, and Sm4.952(3)Mo3O16

Quantum Trajectory Dynamics Based on Local Approximations to the Quantum Potential and Force

Quantum Trajectory Dynamics in Arbitrary Coordinates†

SS(p)G: a strongly orthogonal geminal method with relaxed strong orthogonality

Semiclassical Bohmian Dynamics

Semiclassical electron correlation operator

Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(P3,D1)+H2 system

Semiclassical nonadiabatic dynamics using a mixed wave-function representation

Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks

Stabilization of quantum energy flows within the approximate quantum trajectory approach

Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems

Supramolecular structural variations with changes in anion and solvent in silver(I) complexes of a semirigid, bitopic tris(pyrazolyl)methane ligand

Symmetrization of the nuclear wavefunctions defined by the quantum trajectory dynamics

Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups

Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands

Tetraruthenium carbonyl complexes containing germyl and stannyl ligands from the reactions of Ru4(CO)13(μ-H)2 with HGePh3 and HSnPh3

The definition of core electrons

The electronic mean field configuration interaction method: III – the p -orthogonality constraint

The stable pentamethylcyclopentadienyl cation

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn

Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations