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 | 378 | 2020 |
The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis YA Abramov, VG Tsirelson, VE Zavodnik, SA Ivanov, ID Brown Structural Science 51 (6), 942-951, 1995 | 364 | 1995 |
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 | 316 | 2012 |
WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density A Stash, V Tsirelson Applied Crystallography 35 (3), 371-373, 2002 | 313 | 2002 |
Determination of the electron localization function from electron density V Tsirelson, A Stash Chemical physics letters 351 (1-2), 142-148, 2002 | 291 | 2002 |
Multipole analysis of the electron density in triphylite, LiFePO4, using X-ray diffraction data VA Streltsov, EL Belokoneva, VG Tsirelson, NK Hansen Structural Science 49 (2), 147-153, 1993 | 275 | 1993 |
Topological definition of crystal structure: determination of the bonded interactions in solid molecular chlorine VG Tsirelson, PF Zhou, TH Tang, RFW Bader Foundations of Crystallography 51 (2), 143-153, 1995 | 231 | 1995 |
Interplay between non-covalent interactions in complexes and crystals with halogen bonds EV Bartashevich, VG Tsirelson Russian Chemical Reviews 83 (12), 1181, 2014 | 211 | 2014 |
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 | 149 | 2006 |
X-ray and electron diffraction study of MgO VG Tsirelson, AS Avilov, YA Abramov, EL Belokoneva, R Kitaneh, D Feil Structural Science 54 (1), 8-17, 1998 | 142 | 1998 |
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 | 120 | 2015 |
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 | 118 | 2007 |
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 Structural Science 55 (1), 45-54, 1999 | 112 | 1999 |
Analyzing experimental electron density with the localized-orbital locator VG Tsirelson, A Stash Structural Science 58 (5), 780-785, 2002 | 110 | 2002 |
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 | 107 | 2002 |
The mapping of electronic energy distributions using experimental electron density VG Tsirelson Structural Science 58 (4), 632-639, 2002 | 100 | 2002 |
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 | 96 | 2013 |
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 | 93 | 2013 |
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 | 91 | 2014 |
Developing WinXPRO: a software for determination of the multipole-model-based properties of crystals AI Stash, VG Tsirelson Applied Crystallography 47 (6), 2086-2089, 2014 | 88 | 2014 |