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Using Empirical Valence Bond Constructs as Reference Potentials For High‐Level Quantum Mechanical Calculations
Using Empirical Valence Bond Constructs as Reference Potentials For High‐Level Quantum Mechanical Calculations
2017
Nikolay V. Plotnikov
Keywords:
Umbrella sampling
Generalized valence bond
Atomic physics
Valence bond theory
QM/MM
Modern valence bond theory
Quantum
Molecular physics
Chemistry
Correction
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