The top documents tagged [ab initio techniques]

Quantum Monte Carlo for “Difficult” Systems in Materials Chemistry Ainsley A. Gibson Howard University Washington, DC 20059.

Quantum Monte Carlo for “Difficult” Systems in Materials Chemistry Ainsley A. Gibson Howard University Washington, DC 20059.

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Homology Modeling Lu Chih-Hao 1. Why study protein structure? Proteins play crucial functional roles in all biological processes: enzymatic catalysis,

Homology Modeling Lu Chih-Hao 1. Why study protein structure? Proteins play crucial functional roles in all biological processes: enzymatic catalysis,

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Quantum Monte Carlo for “Difficult” Systems in Materials Chemistry

Quantum Monte Carlo for “Difficult” Systems in Materials Chemistry

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