Articoli con mandati relativi all'accesso pubblico - Viktor N. StaroverovUlteriori informazioni
Non disponibili pubblicamente: 10
Origin of the step structure of molecular exchange–correlation potentials
SV Kohut, AM Polgar, VN Staroverov
Physical Chemistry Chemical Physics 18 (31), 20938-20944, 2016
Mandati: Natural Sciences and Engineering Research Council of Canada
Monitoring and Understanding the Paraelectric–Ferroelectric Phase Transition in the Metal–Organic Framework [NH4][M(HCOO)3] by Solid‐State NMR …
J Xu, BEG Lucier, R Sinelnikov, VV Terskikh, VN Staroverov, Y Huang
Chemistry–A European Journal 21 (41), 14348-14361, 2015
Mandati: Fonds de recherche du Québec - Santé, Natural Sciences and Engineering …
Assessment of a density functional with full exact exchange and balanced non-locality of correlation
CA Jimenez-Hoyos, BG Janesko, GE Scuseria, VN Staroverov, ...
Molecular Physics 107 (8-12), 1077-1088, 2009
Mandati: US National Institutes of Health
Cationic boron formazanate dyes
RR Maar, BD Katzman, PD Boyle, VN Staroverov, JB Gilroy
Angewandte Chemie International Edition 60 (10), 5152-5156, 2021
Mandati: Natural Sciences and Engineering Research Council of Canada
Construction of Fermi potentials from electronic wave functions
E Ospadov, VN Staroverov
Journal of Chemical Theory and Computation 14 (8), 4246-4253, 2018
Mandati: Natural Sciences and Engineering Research Council of Canada
Elimination of spurious fractional charges in dissociating molecules by correcting the shape of approximate Kohn–Sham potentials
DN Komsa, VN Staroverov
Journal of Chemical Theory and Computation 12 (11), 5361-5366, 2016
Mandati: Natural Sciences and Engineering Research Council of Canada
Unified construction of Fermi, Pauli and exchange-correlation potentials
VN Staroverov, E Ospadov
Advances in Quantum Chemistry 79, 201-219, 2019
Mandati: Natural Sciences and Engineering Research Council of Canada
X-ray absorption near-edge structure spectroscopy of a stable 6-oxoverdazyl radical and its diamagnetic precursor
Z Wang, JA Paquette, VN Staroverov, JB Gilroy, TK Sham
The Journal of Physical Chemistry A 123 (1), 323-328, 2018
Mandati: Canadian Institutes of Health Research, Natural Sciences and Engineering …
Using Density Functional Theory for Testing the Robustness of Mobile-Proton Molecular Dynamics Simulations on Electrosprayed Ions: Structural Implications for Gaseous Proteins
CC Moore, VN Staroverov, L Konermann
The Journal of Physical Chemistry B 127 (18), 4061-4071, 2023
Mandati: Natural Sciences and Engineering Research Council of Canada
Operationally unsaturated ruthenium complex stabilized by a phosphine 1-azaallyl ligand
MB Kindervater, VN Staroverov, KMK Jackman, AA Fogh, LSG Kelley, ...
Dalton Transactions 52 (31), 10744-10750, 2023
Mandati: Natural Sciences and Engineering Research Council of Canada
Disponibili pubblicamente: 37
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ...
Physical Chemistry Chemical Physics 24 (47), 28700-28781, 2022
Mandati: US National Science Foundation, US Department of Energy, US National …
Effect of extended π conjugation on the spectroscopic and electrochemical properties of boron difluoride formazanate complexes
SM Barbon, VN Staroverov, JB Gilroy
The Journal of Organic Chemistry 80 (10), 5226-5235, 2015
Mandati: Natural Sciences and Engineering Research Council of Canada
Reduction of electronic wave functions to Kohn-Sham effective potentials
IG Ryabinkin, SV Kohut, VN Staroverov
Physical Review Letters 115 (8), 083001, 2015
Mandati: Natural Sciences and Engineering Research Council of Canada
Exact expressions for the Kohn–Sham exchange-correlation potential in terms of wave-function-based quantities
R Cuevas-Saavedra, VN Staroverov
Molecular Physics 114 (7-8), 1050-1058, 2016
Mandati: Natural Sciences and Engineering Research Council of Canada
Kohn–Sham exchange-correlation potentials from second-order reduced density matrices
R Cuevas-Saavedra, PW Ayers, VN Staroverov
The Journal of Chemical Physics 143 (24), 244116, 2015
Mandati: Natural Sciences and Engineering Research Council of Canada
Improved method for generating exchange-correlation potentials from electronic wave functions
E Ospadov, IG Ryabinkin, VN Staroverov
The Journal of Chemical Physics 146 (8), 084103, 2017
Mandati: Natural Sciences and Engineering Research Council of Canada
Structurally Diverse Boron–Nitrogen Heterocycles from an N2O23− Formazanate Ligand
SM Barbon, VN Staroverov, JB Gilroy
Angewandte Chemie International Edition 56 (28), 8173-8177, 2017
Mandati: Natural Sciences and Engineering Research Council of Canada
Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces
Y Mo, R Car, VN Staroverov, GE Scuseria, J Tao
Physical Review B 95 (3), 035118, 2017
Mandati: US National Science Foundation, US Department of Energy, Natural Sciences …
Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn–Sham potential
E Ospadov, J Tao, VN Staroverov, JP Perdew
Proceedings of the National Academy of Sciences 115 (50), E11578-E11585, 2018
Mandati: US National Science Foundation, Natural Sciences and Engineering Research …
Optoelectronic, Aggregation, and Redox Properties of Double‐Rotor Boron Difluoride Hydrazone Dyes
D Cappello, DAB Therien, VN Staroverov, F Lagugné‐Labarthet, ...
Chemistry–A European Journal 25 (23), 5994-6006, 2019
Mandati: Natural Sciences and Engineering Research Council of Canada
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