Staroverov, Viktor N : rechercher sur Z-Library

Ghanty, Tapan K., Staroverov, Viktor N., Koren, Patrick R., Davidson, Ernest R.

Année:

2003

Langue:

english

Fichier:

PDF, 106 KB

english, 2003

Is the Hydrogen Bond in Water Dimer and Ice Covalent?

Journal:

Ryabinkin, Ilya G., Kohut, Sviataslau V., Staroverov, Viktor N.

Année:

2000

Langue:

english

Fichier:

PDF, 317 KB

english, 2000

Reduction of Electronic Wave Functions to Kohn-Sham Effective Potentials

Journal:

Ospadov, Egor, Ryabinkin, Ilya G., Staroverov, Viktor N.

Année:

2015

Langue:

english

Fichier:

PDF, 378 KB

english, 2015

Improved method for generating exchange-correlation potentials from electronic wave functions

Journal:

Ryabinkin, Ilya, Staroverov, Viktor

Année:

2017

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2017

Solution of the Schrödinger equation for two electrons in axially symmetric cavities

Journal:

Ryabinkin, Ilya G., Staroverov, Viktor N.

Année:

2010

Langue:

english

Fichier:

PDF, 422 KB

english, 2010

Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons

Journal:

International Journal of Quantum Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 204 KB

english, 2013

Band Gap Reduction in ZnO and ZnS by Creating Layered ZnO/ZnS Heterostructures

Torabi, Amin, Staroverov, Viktor N.

Journal:

The Journal of Physical Chemistry Letters

Année:

2015

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2015

Response to “Comment on ‘Kohn–Sham exchange-correlation potentials from second-order reduced density matrices’” [J. Chem. Phys. 145, 037101 (2016)]

Ryabinkin, Ilya G., Kohut, Sviataslau V., Cuevas-Saavedra, Rogelio, Ayers, Paul W., Staroverov, Viktor N.

Journal:

Ospadov, Egor, Staroverov, Viktor N.

Année:

2016

Langue:

english

Fichier:

PDF, 352 KB

english, 2016

Construction of Fermi Potentials from Electronic Wave Functions

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 279 KB

english, 2018

NearâInfrared Boron Difluoride Formazanate Dyes

Buguis, Francis L, Maar, Ryan R, Staroverov, Viktor N, Gilroy, Joe B.

Journal:

Chemistry (Weinheim an der Bergstrasse, Germany)

Année:

2020

Fichier:

PDF, 2.20 MB

2020

Electron distributions in radicals

International Journal of Quantum Chemistry

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 244 KB

english, 2000

Charge densities for singlet and triplet electron pairs

International Journal of Quantum Chemistry

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 464 KB

english, 2000

A density functional method for degenerate spin-multiplet components

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 263 KB

english, 2001

The reduced model space method in multireference second-order perturbation theory

Viktor N Staroverov, Ernest R Davidson

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 142 KB

english, 1998

Corrigendum to “The cope rearrangement in theoretical retrospect” [J. Mol. Struct. (Theochem) 573 (2001) 81–89]

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 37 KB

english, 2002

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin, Perdew, John P.

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 345 KB

english, 2003

The Cope rearrangement in theoretical retrospect

Journal of Molecular Structure: THEOCHEM

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 144 KB

english, 2001

Improved Electronic Excitation Energies from Shape-Corrected Semilocal Kohn-Sham Potentials

Gaiduk, Alex P., Firaha, Dzmitry S., Staroverov, Viktor N.

Journal:

Gaiduk, Alex P., Mizzi, Dan, Staroverov, Viktor N.

Année:

2012

Langue:

english

Fichier:

PDF, 158 KB

english, 2012

Self-interaction correction scheme for approximate Kohn-Sham potentials

Journal:

Dykman, Lev A., Staroverov, Sergei A., Guliy, Olga I., Ignatov, Oleg V., Fomin, Alexander S., Vidyasheva, Irina V., Karavaeva, Olga A., Bunin, Viktor D., Burygin, Gennady L.

Année:

2012

Langue:

english

Fichier:

PDF, 319 KB

english, 2012

PREPARATION OF MINIANTIBODIES TO Azospirillum brasilense Sp245 SURFACE ANTIGENS AND THEIR USE FOR BACTERIAL DETECTION

Journal:

Journal of Immunoassay and Immunochemistry

Année:

2012

Langue:

english

Fichier:

PDF, 422 KB

english, 2012

Erratum: Tests of a ladder of density functionals for bulk solids and surfaces [Phys. Rev. B 69 , 075102 (2004)]

Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin, Perdew, John P.

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 28 KB

english, 2008

Tests of a ladder of density functionals for bulk solids and surfaces

Staroverov, Viktor N., Scuseria, Gustavo E., Tao, Jianmin, Perdew, John P.

Journal:

Physical Review B

Année:

2004

Langue:

english

Fichier:

PDF, 103 KB

english, 2004

Distribution of effectively unpaired electrons

Staroverov, Viktor N., Scuseria, Gustavo E.

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 247 KB

english, 2000

Optimization of density matrix functionals by the Hartree–Fock–Bogoliubov method

Journal:

Gaiduk, Alex P., Staroverov, Viktor N.

Année:

2002

Langue:

english

Fichier:

PDF, 369 KB

english, 2002

Virial exchange energies from model exact-exchange potentials

Journal:

Torabi, Amin, Song, Yang, Staroverov, Viktor N.

Année:

2008

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2008

Pressure-Induced Polymorphic Transitions in Crystalline Diborane Deduced by Comparison of Simulated and Experimental Vibrational Spectra

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 336 KB

english, 2013

Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study

Cornacchio, Angelica L. P., Price, Jacquelyn T., Jennings, Michael C., McDonald, Robert, Staroverov, Viktor N., Jones, Nathan D.

Journal:

Journal of Organic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 744 KB

english, 2009

Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional

Perdew, John P., Tao, Jianmin, Staroverov, Viktor N., Scuseria, Gustavo E.

Journal:

Staroverov, Viktor N., Scuseria, Gustavo E., Davidson, Ernest R.

Année:

2004

Langue:

english

Fichier:

PDF, 472 KB

english, 2004

Optimized effective potentials yielding Hartree–Fock energies and densities

Journal:

Gaiduk, Alex P., Staroverov, Viktor N.

Année:

2006

Langue:

english

Fichier:

PDF, 375 KB

english, 2006

How to tell when a model Kohn–Sham potential is not a functional derivative

Journal:

Ryabinkin, Ilya G., Kananenka, Alexei A., Staroverov, Viktor N.

Année:

2009

Langue:

english

Fichier:

PDF, 469 KB

english, 2009

Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange

Journal:

Gaiduk, Alex P., Ryabinkin, Ilya G., Staroverov, Viktor N.

Année:

2013

Langue:

english

Fichier:

PDF, 363 KB

english, 2013

Removal of Basis-Set Artifacts in Kohn–Sham Potentials Recovered from Electron Densities

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 338 KB

english, 2013

Ab initio Compton maps of small molecules

STAROVEROV, VIKTOR N., DAVIDSON, ERNEST R.

Journal:

Molecular Physics

Année:

2001

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2001

Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits

Perdew, John P., Ruzsinszky, Adrienn, Tao, Jianmin, Staroverov, Viktor N., Scuseria, Gustavo E., Csonka, Gábor I.

Journal:

Kananenka, Alexei A., Kohut, Sviataslau V., Gaiduk, Alex P., Ryabinkin, Ilya G., Staroverov, Viktor N.

Année:

2005

Langue:

english

Fichier:

PDF, 396 KB

english, 2005

Efficient construction of exchange and correlation potentials by inverting the Kohn–Sham equations

Journal:

Ryabinkin, Ilya G., Staroverov, Viktor N.

Année:

2013

Langue:

english

Fichier:

PDF, 660 KB

english, 2013

Accurate explicitly correlated wave functions for two electrons in a square

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 548 KB

english, 2011

A family of model Kohn–Sham potentials for exact exchange

Staroverov, Viktor N.

Journal:

Tao, Jianmin, Staroverov, Viktor N., Scuseria, Gustavo E., Perdew, John P.

Année:

2008

Langue:

english

Fichier:

PDF, 452 KB

english, 2008

Exact-exchange energy density in the gauge of a semilocal density-functional approximation

Journal:

Kohut, Sviataslau V., Staroverov, Viktor N.

Année:

2008

Langue:

english

Fichier:

PDF, 293 KB

english, 2008

Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations

Journal:

Gaiduk, Alex P., Chulkov, Sergey K., Staroverov, Viktor N.

Année:

2013

Langue:

english

Fichier:

PDF, 343 KB

english, 2013

Reconstruction of Density Functionals from Kohn−Sham Potentials by Integration along Density Scaling Paths

Journal:

Journal of Chemical Theory and Computation

Année:

2009

Langue:

english

Fichier:

PDF, 122 KB

english, 2009

Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction

Perdew, John P., Staroverov, Viktor N., Tao, Jianmin, Scuseria, Gustavo E.

Journal:

Guliy, Olga I., Matora, Larisa Yu., Dykman, Lev A., Staroverov, Sergey A., Burygin, Gennady L., Bunin, Viktor D., Burov, Andrei M., Ignatov, Oleg V.

Année:

2008

Langue:

english

Fichier:

PDF, 254 KB

english, 2008

Electro-optical Study of the Exposure of Azospirillum brasilense Carbohydrate Epitopes

Journal:

Journal of Immunoassay and Immunochemistry

Année:

2015

Langue:

english

Fichier:

PDF, 758 KB

english, 2015

Exchange and correlation in open systems of fluctuating electron number

Perdew, John P., Ruzsinszky, Adrienn, Csonka, Gábor I., Vydrov, Oleg A., Scuseria, Gustavo E., Staroverov, Viktor N., Tao, Jianmin

Journal:

Rupar, Paul A., Staroverov, Viktor N., Baines, Kim M.

Année:

2007

Langue:

english

Fichier:

PDF, 97 KB

english, 2007

Reactivity Studies of N-Heterocyclic Carbene Complexes of Germanium(II) †

Journal:

Organometallics

Année:

2010

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2010

Structurally Tunable 3-Cyanoformazanate Boron Difluoride Dyes

Barbon, Stephanie M., Reinkeluers, Pauline A., Price, Jacquelyn T., Staroverov, Viktor N., Gilroy, Joe B.

Journal:

Chemistry - A European Journal

Année:

2014

Langue:

english

Fichier:

PDF, 443 KB

english, 2014

Diradical Character of the Cope Rearrangement Transition State

Staroverov, Viktor N., Davidson, Ernest R.

Journal:

Staroverov, Viktor N., Davidson, Ernest R.

Année:

2000

Langue:

english

Fichier:

PDF, 48 KB

english, 2000

Transition Regions in the Cope Rearrangement of 1,5-Hexadiene and Its Cyano Derivatives

Journal:

Pavelka, Laura C., Hanson, Margaret A., Staroverov, Viktor N., Baines, Kim M.

Année:

2000

Langue:

english

Fichier:

PDF, 165 KB

english, 2000

Mechanism of the addition of alkynes to silenes and germenes: A density functional study

Journal:

Canadian Journal of Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 790 KB

english, 2015

A Germanium(II)-Centered Dication

Rupar, Paul A., Staroverov, Viktor N., Ragogna, Paul J., Baines, Kim M.

Journal: