Results 261 to 270 of about 1,035,532 (286)

Modeling Metal Binding Sites in Proteins by Quantum Chemical Calculations

Computational Chemistry, 2014
Todor Dudev
exaly  

Quantum computer models a chemical reaction

Physics Today, 2020
openaire   +1 more source

Inclusion Complexes of Quercetin with β-Cyclodextrins: Ultraviolet and Infrared Spectroscopy and Quantum Chemical Modeling

Biophysics (Russian Federation), 2020
Artur Stępniak, Ilya B Zavodnik, Maskevich S A   +2 more
exaly  

Quantum – Chemical Modeling

, 2014
M. Chashkin, V. Kodolov, A. Zakharov, Y. Vasilchenko, M. Vakhrushina, V. Trineeva, G. Zaikov   +6 more
semanticscholar   +1 more source

Vanadium pentoxide. II. Quantum chemical modeling

Applied Catalysis A: General, 1997
M Witko, R Tokarz
exaly  

Quantum chemical modeling studies of ethylbenzene dehydrogenase activity

, 2012
M. Szaleniec, A. Salwiński, T. Borowski, J. Heider, M. Witko   +4 more
semanticscholar   +1 more source

Structures of the I-, II- and H-methane clathrates and the ice-methane clathrate phase transition from quantum-chemical modeling with force-field thermal corrections.

Journal of Physical Chemistry A, 2011
A. Lenz, L. Ojamäe
semanticscholar   +1 more source

Quantum chemical modeling of CoC bond activation in B12-dependent enzymes

Current Opinion in Chemical Biology, 2001
Pawel M Kozlowski
exaly  

Quantum chemical modeling of enzymatic reactions: The case of histone lysine methyltransferase

Journal of Computational Chemistry, 2010
P. Georgieva, F. Himo
semanticscholar   +1 more source

Molecular Modeling and Quantum Chemical Calculations of Interaction of Gas Pollutants with Polyacrylonitrile

Russian Journal of Physical Chemistry B, 2018
Petrov V V
exaly