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Lista de obras de Vladimir V Rybkin

Application of classical simulations for the computation of vibrational properties of free molecules.

artículo científico publicado en 2016

Author Correction: Simulating the ghost: quantum dynamics of the solvated electron

artículo científico publicado en 2021

Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation

scientific article published on 06 November 2020

Dynamics of the Bulk Hydrated Electron from Many-Body Wave-Function Theory

scientific article published on 18 February 2019

Formulation and Implementation of Density Functional Embedding Theory Using Products of Basis Functions

artículo científico publicado en 2021

Formulation and Implementation of Density Functional Embedding Theory using Products of Basis Functions

artículo científico publicado en 2020

Formulation and Implementation of Density Functional Embedding Theory using Products of Basis Functions

artículo científico publicado en 2020

Franck-Condon Theory of Quantum Mechanochemistry

artículo científico publicado en 2017

Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions.

artículo científico publicado en 2017

Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics

artículo científico publicado en 2012

Internal-to-Cartesian back transformation of molecular geometry steps using high-order geometric derivatives

artículo científico publicado en 2013

Ionization of Water as an Effect of Quantum Delocalization at Aqueous Electrode Interfaces

scientific article published on 21 April 2020

Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated Electron

artículo científico publicado en 2020

Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated Electron

artículo científico publicado en 2020

Mechanism of Aqueous Carbon Dioxide Reduction by the Solvated Electron

artículo científico publicado en 2020

Mechanochemistry: the effect of dynamics

artículo científico publicado en 2014

Multi-Level Protocol for Mechanistic Reaction Studies Using Semi-Local Fitted Potential Energy Surfaces

artículo científico publicado en 2024

Nuclear Quantum Effects on Aqueous Electron Attachment and Redox Properties

artículo científico publicado en 2017

Quantum Dynamics of Water from Møller-Plesset Perturbation Theory via a Neural Network Potential

artículo científico publicado en 2021

Sampling Potential Energy Surfaces in the Condensed Phase with Many-Body Electronic Structure Methods

artículo científico publicado en 2019

Sampling microcanonical ensembles of trajectories using harmonic approximation in internal coordinates

scientific article published on 01 August 2014

Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics

artículo científico publicado en 2022

Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics

artículo científico publicado en 2021

Simulating the ghost: quantum dynamics of the solvated electron

artículo científico publicado en 2021

Spin-Unrestricted Second-Order Møller-Plesset (MP2) Forces for the Condensed Phase: From Molecular Radicals to F-Centers in Solids

artículo científico publicado en 2016

Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy

artículo científico publicado en 2021

Surface tension of liquids and binary mixtures from molecular dynamics simulations

artículo científico publicado en 2021

The Dalton quantum chemistry program system

artículo científico publicado en 2014

The effect of molecular dynamics sampling on the calculated observable gas-phase structures

artículo científico publicado en 2016

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