List of works - Andrey Chugreev

A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data

scientific article

A computational study of the crystal and electronic structure of the room temperature organometallic ferromagnet V(TCNE)2

scientific article published on 01 October 2008

Atomic motions in the layered copper pseudochalcogenide CuNCN indicative of a quantum spin-liquid scenario

scientific article published on 21 April 2017

CARTESIUS: a group function based toolkit for hybrid molecular modelling

Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets

scientific article published on 06 May 2011

Deductive molecular mechanics of four-coordinated carbon allotropes

scientific article published on 01 August 2019

Efficient multipole model and linear scaling of NDDO-based methods

scientific article published on 01 August 2005

Electronic and magnetic structure of transition-metal carbodiimides by means of GGA+U theory

scientific article published on 01 November 2010

High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature

scientific article published in December 2013

Hydrogen-bond networks in water clusters (H2O)20: an exhaustive quantum-chemical analysis

scientific article published on 01 February 2010

Intra-atomic exchange and ferromagnetic interaction in metallocene-based donor-acceptor stacked crystals

scientific article published on 01 September 1992

Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo

scientific article published on 25 October 2021

Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics

scientific article published on 01 November 2003

Low-temperature structure anomalies in CuNCN. Manifestations of RVB phase transitions?

scientific article published on 04 October 2013

Magneto-optical Response of 3d-Decorated Polyoxomolybdates with ε-Keggin Structure

scientific article published on 21 February 2014

Nephelauxetic effect revisited

Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials

scientific article published on 23 June 2011

Relative stability of diamond and graphite as seen through bonds and hybridizations

scientific article published on 20 May 2019

The gapless energy spectrum and spin-Peierls instability of 1D Heisenberg spin systems in polymeric complexes of transition metals and hypothetical carbon allotropes

scientific article published on 15 April 2019

Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics

scientific article published on 01 April 2005

Unconventional magnetism in a nitrogen-containing analog of cupric oxide

scientific article published on 22 July 2011

List of works by Andrey Chugreev