Results 301 to 310 of about 1,061,074 (328)

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

2016
openaire   +1 more source

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

Quantum Chemistry in the Age of Quantum Computing

Chemical Reviews, 2019
Yudong Cao, Matthias Degroote, Peter D Johnson   +2 more
exaly  

Probing dynamics in quantum materials with femtosecond X-rays

Nature Reviews Materials, 2018
Michele Buzzi, Roman Mankowsky, Andrea Cavalleri   +2 more
exaly  

Quantum and Dielectric Confinement Effects in Lower-Dimensional Hybrid Perovskite Semiconductors

Chemical Reviews, 2019
Claudine Katan, Nicolas Mercier, Jacky Even   +2 more
exaly  

Quantum Algorithms for Quantum Chemistry and Quantum Materials Science

Chemical Reviews, 2020
Bela Bauer, Sergey Bravyi, Mario Motta
exaly  

Quantum entanglement

Reviews of Modern Physics, 2009
Ryszard Horodecki, Michał Horodecki, Karol Horodecki   +2 more
exaly  

Spectroscopic and Device Aspects of Nanocrystal Quantum Dots

Chemical Reviews, 2016
Jeffrey M Pietryga, Young-Shin Park, Jaehoon Lim   +2 more
exaly