Topological Theory of Molecular Conformations
作者： Paul G. Mezey
DOI: 10.1007/978-94-009-5351-2_3
关键词:
摘要: Some of the recent advances in topological theory molecular conformational analysis are reviewed. A formal proof is given for continuity energy functionals over a special “reduced” nuclear configuration space, obtained by reducing entire families equivalent configurations to individual points space. The possibility existence “potential defying” conformers pointed out. Global transformations energetically important domains potential surfaces discussed, which simplify enumeration various conformers.
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sci-hub.st 参考文章(19)
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