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The top documents tagged [potential energy surfaces]
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Computational Chemistry for Dummies Svein Saebø
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Dalton 2015 Manual
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Dalton 2013 Manual
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The Wales Group in Context: Exploring Energy Landscapes Research Review by Ryan Babbush Applied Computation 298r February 8, 2013
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Simulations of Biological Systems with DFTB and the Divide-and-Conquer Linear Scaling Method Weitao Yang, Duke University Funding NSF NSF-NIRT NIH DARPA
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Go Large and Go Long? Todd J. Martinez Extending Quantum Chemistry Basis set Electron Correlation Minimal Basis Set/Hartree-Fock Minimal Basis Set Full
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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
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Ultraviolet Photodissociation Dynamics of the Cyclohexyl Radical Michael Lucas, Yanlin Liu, Jingsong Zhang Department of Chemistry University of California,
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Lecture 23 Born-Oppenheimer approximation (c) So Hirata, Department of Chemistry, University of Illinois at Urbana-Champaign. This material has been developed
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