Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies
摘要:
Contents 1 Introduction 1.1 The hierarchy of interactions between elementary particles, atoms and molecules 1.2 The origin and phenomenological description of vdW interactions 2 Calculation of interaction energy 3 Vibrational frequencies 4 Potential energy surface 5 Free energy surface 6 Applications 6.1 Benzene...Arn clusters 6.2 Aromatic system dimers and oligomers 6.3 Nucleic acid-base pairs
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DOI:
10.1007/3-540-45621-X_12
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年份:
2001
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来源期刊
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2002
被引量:58
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