Results 321 to 328 of about 1,061,074 (328)

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

Chemical Reviews, 2018
Rachel Crespo-Otero, Mario Barbatti
exaly  

Quantum chemical modeling of benzene ethylation over H-ZSM-5 approaching chemical accuracy: a hybrid MP2:DFT study.

Journal of the American Chemical Society, 2010
N. Hansen, T. Kerber, J. Sauer, A. Bell, F. Keil   +4 more
semanticscholar   +1 more source

Quantum supremacy using a programmable superconducting processor

Nature, 2019
Kunal Arya, Ryan Babbush, Rami Barends
exaly  

Quantum chemical modeling of humic acid/air equilibrium partitioning of organic vapors.

Environmental Science and Technology, 2007
C. Niederer, K. Goss
semanticscholar   +1 more source

Quantum chemical modeling of enzyme active sites and reaction mechanisms

, 2006
F. Himo
semanticscholar   +1 more source

Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

Chemical Reviews, 2016
Michele Ceriotti, Wei Fang, Peter G Kusalik   +2 more
exaly  

Trinuclear terpyridine frustrated spin system with a Mn(IV)3O4 core: synthesis, physical characterization, and quantum chemical modeling of its magnetic properties.

Inorganic Chemistry, 2009
Carole Baffert, M. Orio, D. Pantazis, C. Duboc, A. Blackman, G. Blondin, F. Neese, A. Deronzier, M. Collomb   +8 more
semanticscholar   +1 more source

Ultrafast Spectroscopy, Part III: Quantum Chemical Model

2018
openaire   +1 more source