Lista de obras - Vitaly A. Rassolov - Dominio Público Uruguay

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

artículo científico publicado en 2006

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

artículo científico publicado en 2010

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

artículo científico publicado en 2006

Binuclear Aromatic C-H Bond Activation at a Dirhenium Site

artículo científico publicado en 2015

Binuclear Aromatic C−H Bond Activation at a Dirhenium Site

artículo científico publicado en 2015

Bohmian dynamics on subspaces using linearized quantum force.

artículo científico publicado en 2004

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

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 2008

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

artículo científico publicado en 2008

Description of electronic excited states using electron correlation operator

artículo científico publicado en 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

artículo científico publicado en 2014

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

artículo científico publicado en 2004

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

artículo científico publicado en 2015

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

artículo científico publicado en 2001

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

artículo científico publicado en 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

artículo científico publicado en 1998

Geminal model chemistry II. Perturbative corrections

artículo científico publicado en 2004

Geminal model chemistry III: Partial spin restriction

artículo científico publicado en 2007

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

artículo científico publicado en 2007

Harmonic electron correlation operator

artículo científico publicado en 2011

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

artículo científico publicado en 2009

Local spin from strongly orthogonal geminal wavefunctions

artículo científico publicado en 2014

Modified quantum trajectory dynamics using a mixed wave function representation

artículo científico publicado en 2004

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2016

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

artículo científico publicado en 2019

Quantum Trajectory Dynamics in Arbitrary Coordinates†

artículo científico publicado en 2006

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

artículo científico publicado en 2014

Semiclassical Bohmian Dynamics

artículo científico publicado en 2010

Semiclassical electron correlation operator

artículo científico publicado en 2009

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

artículo científico publicado en 2006

Semiclassical nonadiabatic dynamics using a mixed wave-function representation

artículo científico publicado en 2005

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

artículo científico publicado en 2022

Stabilization of quantum energy flows within the approximate quantum trajectory approach

artículo científico publicado en 2007

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

artículo científico publicado en 2008

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

artículo científico publicado en 2004

Symmetrization of the nuclear wavefunctions defined by the quantum trajectory dynamics

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2010

The stable pentamethylcyclopentadienyl cation

artículo científico publicado en 2002

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

artículo científico publicado en 2008

Lista de obras de 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