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List of works by Elvira R. Sayfutyarova

A state interaction spin-orbit coupling density matrix renormalization group method

scientific article published in June 2016

Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals

scientific article

Charge transfer in cold Yb++Rb collisions

Constructing Molecular π-Orbital Active Spaces for Multireference Calculations of Conjugated Systems

scientific article published on 18 February 2019

Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

scientific article

Electron-Coupled Double Proton Transfer in the Slr1694 BLUF Photoreceptor: A Multireference Electronic Structure Study

scientific article published on 03 January 2019

Glutamate Mediates Proton-Coupled Electron Transfer Between Tyrosines 730 and 731 in <i>Escherichia coli</i> Ribonucleotide Reductase

scientific article published in 2021

He–ThO(1Σ+) interactions at low temperatures: Elastic and inelastic collisions, transport properties, and complex formation in cold 4He gas

scientific article published on 01 April 2011

Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

Py SCF: the Python-based simulations of chemistry framework

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Strategies for Enhancing the Rate Constant of C-H Bond Cleavage by Concerted Proton-Coupled Electron Transfer

scientific article published on 12 September 2019

Substituent Effects on Photochemistry of Anthracene-Phenol-Pyridine Triads Revealed by Multireference Calculations

scientific article published on 30 December 2019

Theoretical Study of C-H Bond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-Benzoates

article published in 2018

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