Rassolov, Vitaly A.: search on Z-Library

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1

Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems

Garashchuk, Sophya, Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 136 KB

english, 2008

2

Description of metals based on localized electrons

Vitaly A. Rassolov, Sophya V. Garashchuk, Mark A. Ratner

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 117 KB

english, 2002

3

6-31G* basis set for third-row atoms

Vitaly A. Rassolov, Mark A. Ratner, John A. Pople, Paul C. Redfern, Larry A. Curtiss

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

4

Local spin from strongly orthogonal geminal wavefunctions

Jeszenszki, Péter, Rassolov, Vitaly, Surján, Péter R., Szabados, Ágnes

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 769 KB

english, 2015

5

Computational complexity in quantum chemistry

Vitaly A. Rassolov, Sophya Garashchuk

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 148 KB

english, 2008

6

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

Curtiss, Larry A., Raghavachari, Krishnan, Redfern, Paul C., Rassolov, Vitaly, Pople, John A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 423 KB

english, 1998

7

6-31G∗ basis set for atoms K through Zn

Rassolov, Vitaly A., Pople, John A., Ratner, Mark A., Windus, Theresa L.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 314 KB

english, 1998

8

Dynamics in the quantum/classical limit based on selective use of the quantum potential

Garashchuk, Sophya, Dell’Angelo, David, Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 815 KB

english, 2014

9

Applicability criterion for semiclassical Bohmian dynamics

Sophya Garashchuk, Vitaly A. Rassolov

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 127 KB

english, 2004

10

Synthesis and Transformations of Triosmium Carbonyl Cluster Complexes Containing Bridging Aryl Ligands

Adams, Richard D., Rassolov, Vitaly, Zhang, Qiang

Journal:

Organometallics

Year:

2012

Language:

english

File:

PDF, 3.31 MB

english, 2012

11

Gaussian-3 theory using reduced Mo̸ller-Plesset order

Curtiss, Larry A., Redfern, Paul C., Raghavachari, Krishnan, Rassolov, Vitaly, Pople, John A.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 402 KB

english, 1999

12

Semiclassical nonadiabatic dynamics of NaFH with quantum trajectories

Sophya Garashchuk, Vitaly A. Rassolov

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 364 KB

english, 2007

13

Quantum dynamics with Bohmian trajectories: energy conserving approximation to the quantum potential

Sophya Garashchuk, Vitaly A. Rassolov

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 190 KB

english, 2003

14

Behavior of electronic wave functions near cusps

Rassolov, Vitaly A., Chipman, Daniel M.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 365 KB

english, 1996

15

Semiempirical models for image electrostatics. I. Bare external charge

Rassolov, Vitaly A., Ratner, Mark A., Pople, John A.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 309 KB

english, 2001

16

The relativistic Dirac–Coulomb–Fock effect on atomization energies

Kedziora, Gary S., Pople, John A., Rassolov, Vitaly A., Ratner, Mark A., Redfern, Paul C., Curtiss, Larry A.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 301 KB

english, 1999

17

The electronic mean field configuration interaction method: III – the -orthogonality constraint

Patrick Cassam-Chenaï, Vitaly Rassolov

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 201 KB

english, 2010

18

New operators for electronic density calculation. II. Application to hydrogen, first-row atoms, and first-row diatomic hydrides

Rassolov, Vitaly A., Chipman, Daniel M.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 437 KB

english, 1996

19

Correction to Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π–π Stacking, 1,8-Naphthalimide Synthon

Reger, Daniel L., Debreczeni, Agota, Reinecke, Bryn, Rassolov, Vitaly, Smith, Mark D., Semeniuc, Radu F.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 725 KB

english, 2011

20

Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups

Adams, Richard D., Dhull, Poonam, Rassolov, Vitaly, Wong, Yuen Onn

Journal:

Inorganic Chemistry

Year:

2016

Language:

english

File:

PDF, 3.27 MB

english, 2016

21

The definition of core electrons

Vitaly A Rassolov, John A Pople, Paul C Redfern, Larry A Curtiss

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 60 KB

english, 2001

22

Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations

Adams, Richard D., Rassolov, Vitaly, Zhang, Qiang

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 1.79 MB

english, 2013

23

Fluorescence Polarization Measurements to Probe Alignment of a Bithiophene Dye in One-Dimensional Channels of Self-Assembled Phenylethynylene Bis-Urea Macrocycle Crystals

Kittikhunnatham, Preecha, Som, Bozumeh, Rassolov, Vitaly, Stolte, Matthias, Würthner, Frank, Shimizu, Linda S., Greytak, Andrew B.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.02 MB

english, 2017

24

Semiclassical dynamics based on quantum trajectories

Sophya Garashchuk, Vitaly A. Rassolov

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 109 KB

english, 2002

25

The diagonal Born–Oppenheimer correction to molecular dynamical properties

Sophya Garashchuk, John C. Light, Vitaly A. Rassolov

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

26

Electron correlation in chemical bonds

Rassolov, Vitaly A., Ratner, Mark A., Pople, John A.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 229 KB

english, 2000

27

Stabilization of Quantum Energy Flows within the Approximate Quantum Trajectory Approach †

Garashchuk, Sophya, Rassolov, Vitaly

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 131 KB

english, 2007

28

Extension of Gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga–Kr

Curtiss, Larry A., Redfern, Paul C., Rassolov, Vitaly, Kedziora, Gary, Pople, John A.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 310 KB

english, 2001

29

Lithium atom spin density from the Hiller-Sucher-Feinberg identity

Vitaly A. Rassolov, Daniel M. Chipman

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1994

Language:

english

File:

PDF, 676 KB

english, 1994

30

Fermi Contact Spin Density Calculations of Aromatic Radicals †

Liang, Liyuan, Rassolov, Vitaly A.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

31

New operators for electronic density calculation. I. Derivations and formal analysis

Rassolov, Vitaly A., Chipman, Daniel M.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 416 KB

english, 1996

32

Large Transition State Stabilization from a Weak Hydrogen Bond

Vik, Erik C, Li, Ping, Maier, Josef M, Madukwe, Daniel O., Rassolov, Vitaly A., Pellechia, Perry J., Masson, Eric, Shimizu, Ken D

Journal:

Chemical Science

Year:

2020

File:

PDF, 1.77 MB

2020

33

SSpG: A strongly orthogonal geminal method with relaxed strong orthogonality

Cagg, Brett A., Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 406 KB

english, 2014

34

The Stable Pentamethylcyclopentadienyl Cation

Joseph B. Lambert, Lijun Lin, Vitaly Rassolov

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 99 KB

english, 2002

35

Analytical potential energy surface for O+C2H2 system

Garashchuk, Sophya, Rassolov, Vitaly A., Braams, Bastiaan J.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 444 KB

english, 2013

36

Quantum Trajectory Dynamics in Arbitrary Coordinates †

Rassolov, Vitaly A., Garashchuk, Sophya, Schatz, George C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

37

An ab initio linear electron correlation functional

Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 337 KB

english, 1999

38

Semiclassical dynamics with quantum trajectories: Formulation and comparison with the semiclassical initial value representation propagator

Garashchuk, Sophya, Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 362 KB

english, 2003

39

Density functional model of multireference systems based on geminals

Brett A. Cagg, Vitaly A. Rassolov

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 202 KB

english, 2012

40

Dynamic Rotation of Bridging Aryl Ligands in Unsaturated Metal Carbonyl Cluster Complexes

Adams, Richard D., Rassolov, Vitaly, Zhang, Qiang

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 324 KB

english, 2013

41

Harmonic electron correlation operator

Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 430 KB

english, 2011

42

Semiclassical nonadiabatic dynamics with quantum trajectories

Rassolov, Vitaly A., Garashchuk, Sophya

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 113 KB

english, 2005

43

Bohmian dynamics on subspaces using linearized quantum force

Rassolov, Vitaly A., Garashchuk, Sophya

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 399 KB

english, 2004

44

Semiclassical electron correlation operator

Rassolov, Vitaly A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 500 KB

english, 2009

45

Approximate quantum trajectory dynamics for reactive processes in condensed phase

Garashchuk, Sophya, Jakowski, Jacek, Rassolov, Vitaly A.

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 784 KB

english, 2015

46

The Stable Pentamethylcyclopentadienyl Cation

Joseph B. Lambert, Lijun Lin, Vitaly Rassolov

Journal:

Angewandte Chemie

Year:

2002

File:

PDF, 46 KB

2002

47

Monte Carlo Simulation of Electron Thermalization Distribution in Liquid Hydrocarbons: Effects of Inverse Collisions and of an External Electric Field

Rassolov, Vitaly A., Mozumder, A.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 94 KB

english, 2001

48

Reply to “Comment on ‘Correlation holes in a spin-polarized dense electron gas’ ”

Rassolov, Vitaly A., Pople, John A., Ratner, Mark A.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 59 KB

english, 2000

49

Spin density in first-row diatomic hydrides from the Hiller–Sucher–Feinberg identity

Rassolov, Vitaly A., Chipman, Daniel M.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 450 KB

english, 1995

50

Facile CH Bond Formation by Reductive Elimination at a Dinuclear Metal Site

Adams, Richard D., Rassolov, Vitaly, Wong, Yuen Onn

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 976 KB

english, 2014

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