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Vladimir Tsirelson
Vladimir Tsirelson
Mendeleev University, Quantum Chemistry Department
Bestätigte E-Mail-Adresse bei muctr.ru
Titel
Zitiert von
Zitiert von
Jahr
Electron density and bonding in crystals: Principles, theory and X-ray diffraction experiments in solid state physics and chemistry
VG Tsirelson, RP Ozerov
CRC Press, 2020
3702020
The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis
YA Abramov, VG Tsirelson, VE Zavodnik, SA Ivanov, ID Brown
Acta Crystallographica Section B: Structural Science 51 (6), 942-951, 1995
3531995
WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density
A Stash, V Tsirelson
Journal of applied crystallography 35 (3), 371-373, 2002
3052002
Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions
MV Vener, AN Egorova, AV Churakov, VG Tsirelson
Journal of computational chemistry 33 (29), 2303-2309, 2012
3032012
Determination of the electron localization function from electron density
V Tsirelson, A Stash
Chemical physics letters 351 (1-2), 142-148, 2002
2612002
Topological definition of crystal structure: determination of the bonded interactions in solid molecular chlorine
VG Tsirelson, PF Zhou, TH Tang, RFW Bader
Acta Crystallographica Section A: Foundations of Crystallography 51 (2), 143-153, 1995
2301995
Multipole analysis of the electron density in triphylite, LiFePO4, using X-ray diffraction data
VA Streltsov, EL Belokoneva, VG Tsirelson, NK Hansen
Acta Crystallographica Section B: Structural Science 49 (2), 147-153, 1993
2161993
Interplay between non-covalent interactions in complexes and crystals with halogen bonds
EV Bartashevich, VG Tsirelson
Russian Chemical Reviews 83 (12), 1181, 2014
1972014
Atoms-in-molecules study of intra-and intermolecular bonding in the pentaerythritol tetranitrate crystal
EA Zhurova, AI Stash, VG Tsirelson, VV Zhurov, EV Bartashevich, ...
Journal of the American Chemical Society 128 (45), 14728-14734, 2006
1452006
X-ray and electron diffraction study of MgO
VG Tsirelson, AS Avilov, YA Abramov, EL Belokoneva, R Kitaneh, D Feil
Acta Crystallographica Section B: Structural Science 54 (1), 8-17, 1998
1241998
QTAIM study of strong H-bonds with the O− H⊙⊙⊙ A fragment (A= O, N) in three-dimensional periodical crystals
MV Vener, AV Manaev, AN Egorova, VG Tsirelson
The Journal of Physical Chemistry A 111 (6), 1155-1162, 2007
1172007
Six questions on topology in theoretical chemistry
PL Ayers, RJ Boyd, P Bultinck, M Caffarel, R Carbó-Dorca, M Causá, ...
Computational and Theoretical Chemistry 1053, 2-16, 2015
1122015
Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results
V Zavodnik, A Stash, V Tsirelson, R Vries, D Feil
Acta Crystallographica Section B: Structural Science 55 (1), 45-54, 1999
1071999
Characterizing the oxygen− oxygen interaction in the dinitramide anion
EA Zhurova, VG Tsirelson, AI Stash, AA Pinkerton
Journal of the American Chemical Society 124 (17), 4574-4575, 2002
1052002
The mapping of electronic energy distributions using experimental electron density
VG Tsirelson
Acta Crystallographica Section B: Structural Science 58 (4), 632-639, 2002
992002
Cl··· Cl interactions in molecular crystals: Insights from the theoretical charge density analysis
MV Vener, AV Shishkina, AA Rykounov, VG Tsirelson
The Journal of Physical Chemistry A 117 (35), 8459-8467, 2013
922013
Noncovalent interactions in crystalline picolinic acid N-oxide: insights from experimental and theoretical charge density analysis
AV Shishkina, VV Zhurov, AI Stash, MV Vener, AA Pinkerton, VG Tsirelson
Crystal growth & design 13 (2), 816-828, 2013
892013
Analyzing experimental electron density with the localized-orbital locator
VG Tsirelson, A Stash
Acta Crystallographica Section B: Structural Science 58 (5), 780-785, 2002
892002
Developing WinXPRO: a software for determination of the multipole-model-based properties of crystals
AI Stash, VG Tsirelson
Journal of Applied Crystallography 47 (6), 2086-2089, 2014
802014
Evaluation of the lattice energy of the two-component molecular crystals using solid-state density functional theory
MV Vener, EO Levina, OA Koloskov, AA Rykounov, AP Voronin, ...
Crystal growth & design 14 (10), 4997-5003, 2014
792014
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