Results 281 to 290 of about 7,558,016 (299)

Adsorption of organic probes on silica through Lewis interactions: A comparison of experimental results and quantum chemical calculations

Journal of Colloid and Interface Science, 2007
Thomas Sandberg, M Hotokka
exaly  

Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations

Journal of Chemical Physics, 2008
Sergei Tretiak, Chao Wu, Sergey V Malinin   +2 more
exaly  

Orbitals in Quantum-Chemical Calculations

1975
openaire   +1 more source

Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O)n Complexes

Journal of Physical Chemistry A, 2009
Kazuhide Tsuji, Kazuhiko Shibuya
exaly  

- Update on Quantum-chemical Calculation

2013
openaire   +1 more source

Chemical Dynamics: Accurate Quantum Calculations at Last

Science, 1976
openaire   +2 more sources

Molecular size evaluation of linear and branched paraffins from the gasoline pool by DFT quantum chemical calculations

Fuel, 2004
Federico Jimenez-Cruz, Georgina C Laredo
exaly  

The quantum-chemical calculation of NMR indirect spin–spin coupling constants

Progress in Nuclear Magnetic Resonance Spectroscopy, 2008
Magdalena Pecul-Kudelska, Trygve Ulf Helgaker, Michał Jaszuński   +2 more
exaly  

Molecular structures, conformations, force fields and large amplitude motion of -3-chloro-2-propen-1-ol as studied by quantum chemical calculations and gas electron diffraction augmented with quantum chemical calculations on 2-propen-1-ol

Journal of Molecular Structure, 2009
Svein Samdal, Ragnhild Seip, Snefrid Gundersen   +2 more
exaly  

Quantum chemical calculation of F NMR chemical shifts of trifluoromethyl diazirine photoproducts and precursors

Journal of Fluorine Chemistry, 2014
Thomas Lindel, Björn Raimer
exaly