×
+ All Categories
Log in
English
Français
Español
Deutsch
The top documents tagged [potential energy surfaces]
Home >
potential energy surfaces
Computational Chemistry for Dummies Svein Saebø
2.934 views
Dalton 2015 Manual
36 views
X Theoretical Study of the Mechanism of Branching
8 views
Dalton 2013 Manual
59 views
equilibrio quimico
226 views
The Wales Group in Context: Exploring Energy Landscapes Research Review by Ryan Babbush Applied Computation 298r February 8, 2013.
216 views
Simulations of Biological Systems with DFTB and the Divide-and-Conquer Linear Scaling Method Weitao Yang, Duke University Funding NSF NSF-NIRT NIH DARPA.
215 views
Go Large and Go Long? Todd J. Martinez Extending Quantum Chemistry Basis set Electron Correlation Minimal Basis Set/Hartree-Fock Minimal Basis Set Full.
220 views
Isomers and shape transitions in the n-rich A~190 region: Phil Walker University of Surrey prolate K isomers vs. oblate collective rotation the influence.
222 views
Lecture 23 Born-Oppenheimer approximation (c) So Hirata, Department of Chemistry, University of Illinois at Urbana-Champaign. This material has been developed.
217 views
Conical Intersections Spiridoula Matsika. The study of chemical systems is based on the separation of nuclear and electronic motion The potential energy.
213 views
Alexandre Faure, Claire Rist, Yohann Scribano, Pierre Valiron, Laurent Wiesenfeld Laboratoire d’Astrophysique de Grenoble Mathematical Methods for Ab Initio.
212 views
Next >