Results 271 to 280 of about 7,655,786 (300)

The quantum chemical calculations of complexes [ET ... A]

International Conference on Science and Technology of Synthetic Metals, 1994
S.V. Monovalikhin, L.O. Atovmyan
openaire   +1 more source

Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides

Chemical Reviews, 2015
Laura Gagliardi, Rudy Konings, Attila Kovács   +2 more
exaly  

Quantum-chemical and empirical calculations on phospholipids

Chemistry and Physics of Lipids, 1975
T. Weller, H. Frischleder
openaire   +2 more sources

The Multiconfiguration Time-Dependent Hartree–Fock Method for Quantum Chemical Calculations

Journal of Chemical Physics, 2005
Peter Saalfrank, M Nest, T Klamroth
exaly  

A General Intermolecular Force Field Based on Tight-Binding Quantum Chemical Calculations

Journal of Chemical Physics, 2017
Eike Caldeweyher, Stefan Grimme, Andreas Hansen   +2 more
exaly  

Quantum chemical calculations of formyl radicals

Molecular Physics, 1975
W. Bleicher, P. Botschwina
openaire   +1 more source

Quantum Chemical Calculations and Molecular Modeling for Methylene Blue Removal From Water by a Lignin-Chitosan Blend

International Journal of Biological Macromolecules, 2018
Ahmad B Albadarin, Saeed Shirazian, Mashallah Rezakazemi   +2 more
exaly  

Orbitals in Quantum-Chemical Calculations

1975
openaire   +1 more source

QUANTUM‐CHEMICAL CALCULATIONS ON PHOTORECEPTOR PIGMENTS

Photochemistry and Photobiology, 1978
Hideo Suzuki, Hiroshi Kobayashi
openaire   +1 more source

Determination of Carbon-13 Chemical Shielding Tensor in the Liquid State by Combining NMR Relaxation Experiments and Quantum Chemical Calculations

Journal of the American Chemical Society, 2002
Olivier Walker, Piotr Tekely, D Canet
exaly