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List of works by Sergey I. Bokarev

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

scientific article published in June 2017

Bokarev et al. Reply

scientific article published on 28 March 2014

Chemical bonding in aqueous ferrocyanide: experimental and theoretical X-ray spectroscopic study

scientific article published on 30 January 2014

Computing photoelectron spectra employing unique continuum functions

scientific article published in 2022

Direct observation of molecular orbital mixing in a solvated organometallic complex.

scientific article published on 23 July 2013

Effect of chemical structure on the ultrafast spin dynamics in core-excited states

scientific article published on 01 July 2020

Electron- and Energy-Transfer Processes in a Photocatalytic System Based on an Ir(III)-Photosensitizer and an Iron Catalyst

scientific article published on 31 March 2014

Electronic excitation spectra of the [Ir(ppy)2(bpy)]+ photosensitizer bound to small silver clusters Ag(n) (n = 1-6)

scientific article published on 05 March 2012

Electronic excitation spectrum of the photosensitizer [Ir(ppy)2(bpy)]+

scientific article published on 01 June 2012

Erratum: "Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling" [J. Chem. Phys. 143, 074104 (2015)].

scientific article published in August 2016

Erratum: Ultrafast Spin-State Dynamics in Transition-Metal Complexes Triggered by Soft-X-Ray Light [Phys. Rev. Lett. 118, 023001 (2017)]

scientific article published on 01 June 2018

Joint Analysis of Radiative and Non-Radiative Electronic Relaxation Upon X-ray Irradiation of Transition Metal Aqueous Solutions

scientific article published on 21 April 2016

Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy.

scientific article published on 23 May 2017

Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling.

scientific article published on August 2015

Multi-reference protocol for (auto)ionization spectra: Application to molecules

scientific article published on 01 February 2020

Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation

scientific article published on 23 June 2022

Nature of the chemical bond of aqueous Fe2+ probed by soft X-ray spectroscopies and ab initio calculations

scientific article

Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain Perspective.

scientific article

OpenMolcas: From Source Code to Insight

scientific article published on 01 October 2019

Photoelectron shake-ups as a probe of molecular symmetry: 4d XPS analysis of I3- in solution

scientific article published on 01 August 2018

Quasi-classical approaches to vibronic spectra revisited.

scientific article published in March 2018

RhoDyn: A ρ-TD-RASCI Framework to Study Ultrafast Electron Dynamics in Molecules

scientific article published on 29 December 2021

Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem

scientific article published on 01 November 2018

Spin density distribution after electron transfer from triethylamine to an [Ir(ppy)2(bpy)]+ photosensitizer during photocatalytic water reduction

scientific article published on 01 March 2014

State-dependent electron delocalization dynamics at the solute-solvent interface: soft-x-ray absorption spectroscopy and ab initio calculations

scientific article published on 20 August 2013

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates

scientific article

Tuned Range-Separated Density Functional Theory and Dyson Orbital Formalism for Photoelectron Spectra

scientific article published on 15 October 2018

Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems

scientific article published on 01 April 2015

Ultrafast Spin Crossover in [FeII (bpy)3 ]2+ : Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission Spectroscopy

scientific article published on 22 December 2016

Ultrafast Spin-State Dynamics in Transition-Metal Complexes Triggered by Soft-X-Ray Light

scientific article published on 10 January 2017