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1

Electronic Energy Distributions in Energetic Materials: NTO and the Biguanidinium Dinitramides

Zhurova, Elizabeth A., Tsirelson, Vladimir G., Stash, Adam I., Yakovlev, Mikhail V., Pinkerton, A. Alan

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 569 KB

english, 2004

2

Quantum/classical correspondence in the light of Bell's inequalities

Leonid A. Khalfin, Boris S. Tsirelson

Journal:

Foundations of Physics

Year:

1992

Language:

english

File:

PDF, 4.72 MB

english, 1992

3

Natural history, distribution, and management of Lepidium latifolium (Brassicaceae) in New England

Orth, Jennifer Forman, Gammon, Melinda, Abdul-Basir, Fatimah, Stevenson, R. D., Tsirelson, Dina, Ebersole, J., Speak, Susan, Kesseli, Rick

Journal:

Year:

2006

Language:

english

File:

PDF, 235 KB

english, 2006

4

NATURAL HISTORY, DISTRIBUTION, AND MANAGEMENT OF LEPIDIUM LATIFOLIUM (BRASSICACEAE) IN NEW ENGLAND

Jennifer Forman Orth, Melinda Gammon, Fatimah Abdul-Basir, R. D. Stevenson, Dina Tsirelson, J. Ebersole, Susan Speak and Rick Kesseli

Journal:

Year:

2006

Language:

english

File:

PDF, 1.70 MB

english, 2006

5

Determination of the electron localization function from electron density

Vladimir Tsirelson, Adam Stash

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 1011 KB

english, 2002

6

Spectral densities describing off-white noises

Boris Tsirelson

Journal:

Annales de l'Institut Henri Poincare (B) Probability and Statistics

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

7

Ruby structure peculiarities derived from X-ray diffraction data localization of chromium atoms and electron deformation density

V. G. Tsirelson, M. Yu. Antipin, R. G. Gerr, R. P. Ozerov, Yu. T. Struchkov

Journal:

physica status solidi (a)

Year:

1985

Language:

english

File:

PDF, 572 KB

english, 1985

8

Random complex zeroes, II. Perturbed lattice

Mikhail Sodin, Boris Tsirelson

Journal:

Israel Journal of Mathematics

Year:

2006

Language:

english

File:

PDF, 781 KB

english, 2006

9

Triple Points: From Non-Brownian Filtrations to Harmonic Measures

Journal:

Geometric And Functional Analysis

Year:

1997

Language:

english

File:

PDF, 639 KB

english, 1997

10

Pauli potential and Pauli charge from experimental electron density

Tsirelson, Vladimir G., Stash, Adam I., Karasiev, Valentin V., Liu, Shubin

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 841 KB

english, 2013

11

Spatial localization of electron pairs in molecules using the Fisher information density

Astakhov, Andrey A., Tsirelson, Vladimir G.

Journal:

Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.30 MB

english, 2014

12

The N⋯I halogen bond in substituted pyridines as viewed by the source function and delocalization indices

Bartashevich, Ekaterina V., Troitskaya, Elena A., Tsirelson, Vladimir G.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

13

Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations

Devi, Rajendran Niranjana, Khrenova, Maria G., Israel, Samuel, Anzline, Chellam, Astakhov, Andrey A., Tsirelson, Vladimir G.

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 4.95 MB

english, 2017

14

Orbital-free quantum crystallography: view on forces in crystals

Tsirelson, Vladimir, Stash, Adam

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2020

File:

PDF, 2.75 MB

2020

15

ChemInform Abstract: Evidence for Electron Density Features That Accompany the Noble Gases Solidification.

Roland Boese, Dieter Blaeser, Oliver Heinemann, Yuri Abramov, Vladimir Tsirelson, Peter Blaha, Karlheinz Schwarz

Journal:

Year:

1999

File:

PDF, 28 KB

1999

16

Quantitative analysis of bonding in P4 clusters

V. G. Tsirelson, N. P. Tarasova, M. F. Bobrov, Yu. V. Smetannikov

Journal:

Heteroatom Chemistry

Year:

2006

Language:

english

File:

PDF, 400 KB

english, 2006

17

Chemical bonding and Bi atom anharmonicity in Ba0.87K0.13BiO3 crystal

Yu.A. Abramov, I.M. Reznik, V.G. Tsirelson, F.P. Okamura

Journal:

Physica C: Superconductivity

Year:

1995

Language:

english

File:

PDF, 288 KB

english, 1995

18

QTAIM study of the closed-shell interactions in peptide secondary structures: A cluster treatment of oligo- and polyalanines

M.V. Vener, A.N. Egorova, D.P. Fomin, V.G. Tsirelson

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 605 KB

english, 2007

19

Hydrogen bonds and O⋯O interactions in proton-ordered ices. DFT computations with periodic boundary conditions

M.V. Vener, A.N. Egorova, V.G. Tsirelson

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 366 KB

english, 2010

20

Electron-density and electrostatic-potential features of orthorhombic chlorine trifluoride

Anastasia V. Shishkina, Adam I. Stash, Bartolomeo Civalleri, Arkady Ellern, Vladimir G. Tsirelson

Journal:

Mendeleev Communications

Year:

2010

Language:

english

File:

PDF, 1.53 MB

english, 2010

21

Quantitative estimates of transferability of the QTAIM descriptors. Case study of the substituted hydropyrimidines

Alexey A. Rykounov, Vladimir G. Tsirelson

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 7.05 MB

english, 2009

22

Topological analysis of electrostatic potential in SrTiO3

E.A. Zhurova, J.M. Zuo, V.G. Tsirelson

Journal:

Journal of Physics and Chemistry of Solids

Year:

2001

Language:

english

File:

PDF, 163 KB

english, 2001

23

The features of the electron density in XeF5XF6 (X=P, As, Sb, Bi, V, Nb, Ta) molecules

Anton V Tsvetkov, Michail F Bobrov, Vladimir G Tsirelson

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 294 KB

english, 2003

24

Wave noise: A nonlinear analog of the white noise

Boris Tsirelson

Journal:

Nonlinear Analysis: Theory, Methods & Applications

Year:

1997

Language:

english

File:

PDF, 280 KB

english, 1997

25

Hierarchy of the non-covalent interactions in the alanine-based secondary structures. DFT study of the frequency shifts and electron-density features

M. V. Vener, A. N. Egorova, D. P. Fomin, V. G. Tsirelson

Journal:

Journal of Physical Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 315 KB

english, 2009

26

Electron density distribution in 3d-metal sesquioxides

V. G. Tsirelson, V. A. Streltsov, R. P. Ozerov, K. Yvon

Journal:

physica status solidi (a)

Year:

1989

Language:

english

File:

PDF, 447 KB

english, 1989

27

Extended Model of Bond Charges and Its Application in Calculation of Optical Properties of Crystals with Different Types of Chemical Bonds

V. G. Tsirelson, O. V. Korolkova, I. S. Rez, R. P. Ozerov

Journal:

physica status solidi (b)

Year:

1984

Language:

english

File:

PDF, 897 KB

english, 1984

28

X-Ray Electron Charge Density Distribution in Silicon

U. Pietsch, V. G. Tsirelson, R. P. Ozerov

Journal:

physica status solidi (b)

Year:

1986

Language:

english

File:

PDF, 440 KB

english, 1986

29

X-Ray Electron Density Distribution of GaAs

U. Pietsch, V. G. Tsirelson, R. P. Ozerov

Journal:

physica status solidi (b)

Year:

1986

Language:

english

File:

PDF, 466 KB

english, 1986

30

The Crystal Electron Energy and Compton Profile Calculations from X-Ray Diffraction Data

Yu. V. Aleksandrov, V. G. Tsirelson, I. M. Reznik, R. P. Ozerov

Journal:

physica status solidi (b)

Year:

1989

Language:

english

File:

PDF, 391 KB

english, 1989

31

Anharmonic Effects in the Thermal Diffuse Scattering of X-Rays

A. G. Tsarkov, V. G. Tsirelson

Journal:

physica status solidi (b)

Year:

1991

Language:

english

File:

PDF, 658 KB

english, 1991

32

Electron Density distribution and bonding in silicates

V. G. Tsirelson, O. A. Evdokimova, E. L. Belokoneva, V. S. Urusov

Journal:

Physics and Chemistry of Minerals

Year:

1990

Language:

english

File:

PDF, 1.96 MB

english, 1990

33

The automorphism group of the Gaussian measure cannot act pointwise

E. Glasner, B. Tsirelson, B. Weiss

Journal:

Israel Journal of Mathematics

Year:

2005

Language:

english

File:

PDF, 1.10 MB

english, 2005

34

Random complex zeroes, III. Decay of the hole probability

Mikhail Sodin, Boris Tsirelson

Journal:

Israel Journal of Mathematics

Year:

2005

Language:

english

File:

PDF, 277 KB

english, 2005

35

Random complex zeroes, I. Asymptotic normality

Mikhail Sodin, Boris Tsirelson

Journal:

Israel Journal of Mathematics

Year:

2004

File:

PDF, 1.69 MB

2004

36

Uniformly spread measures and vector fields

M. Sodin, B. Tsirelson

Journal:

Journal of Mathematical Sciences

Year:

2010

Language:

english

File:

PDF, 226 KB

english, 2010

37

Molecular structure, barriers to internal rotation, and the enthalpy of formation of cumene hydroperoxide PhCMe2OOH: a DFT study

A. N. Egorova, M. V. Vener, I. S. Zhukov, G. D. Kozak, V. G. Tsirelson

Journal:

Russian Chemical Bulletin

Year:

2008

Language:

english

File:

PDF, 293 KB

english, 2008

38

Chemical Bonding in the Complexes XeF5+XF6−(X = P, As, Sb, and Bi)

M. F. Bobrov, V. G. Tsirelson

Journal:

Russian Journal of Coordination Chemistry

Year:

2005

Language:

english

File:

PDF, 136 KB

english, 2005

39

DFT study of H-bonds in the peptide secondary structures: The backbone–side-chain and polar side-chains interactions

M.V. Vener, A.N. Egorova, D.P. Fomin, V.G. Tsirelson

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 290 KB

english, 2010

40

Multipole analysis of the electron density and electrostatic potential in germanium by high-resolution electron diffraction

A. Avilov, G. Lepeshov, U. Pietsch, V. Tsirelson

Journal:

Journal of Physics and Chemistry of Solids

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

41

Precision electron diffraction structure analysis and its use in physics and chemistry of solids

A. S. Avilov, V. G. Tsirelson

Journal:

Crystallography Reports

Year:

2001

Language:

english

File:

PDF, 250 KB

english, 2001

42

Modern possibilities for calculating some properties of molecules and crystals from the experimental electron density

A. I. Stash, V. G. Tsirelson

Journal:

Crystallography Reports

Year:

2005

Language:

english

File:

PDF, 278 KB

english, 2005

43

A topological analysis of electron density and chemical bonding in cyclophosphazenes PnNnX2n(X = H, F, Cl;n= 2, 3, 4)

M. F. Bobrov, G. V. Popova, V. G. Tsirelson

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2006

Language:

english

File:

PDF, 442 KB

english, 2006

44

Reservoirs ofBrucellainfection in nature

M. M. Zheludkov, L. E. Tsirelson

Journal:

Biology Bulletin

Year:

2010

Language:

english

File:

PDF, 140 KB

english, 2010

45

Critical Points in a Crystal and Procrystal

Vladimir Tsirelson, Yury Abramov, Valery Zavodnik, Adam Stash, Elena Belokoneva, Jochen Stahn, Ullrich Pietsch, Dirk Feil

Journal:

Structural Chemistry

Year:

1998

Language:

english

File:

PDF, 680 KB

english, 1998

46

Intermolecular hydrogen bond energies in crystals evaluated using electron density properties: DFT computations with periodic boundary conditions

M. V. Vener, A. N. Egorova, A. V. Churakov, V. G. Tsirelson

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 880 KB

english, 2012

47

The electron density and chemical bonding in organic compounds by X-ray diffraction

V.G. Tsirelson, R.P. Ozerov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 4.02 MB

english, 1992

48

QTAIMC study of the X–H/H⋯O bond order indices (X = O, N, C) in molecular systems

E.V. Bartashevich, D.K. Nikulov, M.V. Vener, V.G. Tsirelson

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 816 KB

english, 2011

49

Atomic dipole polarization in charge-transfer complexes with halogen bonding

Bartashevich, E. V., Tsirelson, V. G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

50

Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis

Shishkina, Anastasia V., Zhurov, Vladimir V., Stash, Adam I., Vener, Mikhail V., Pinkerton, A. Alan, Tsirelson, Vladimir G.

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 2.36 MB

english, 2013