Molecular dynamics simulations of isotope compounds of hydrogen atoms: prospects and progress
作者： Cristina P Gonçalves , Flávia Rolim , Vinı́cius C Mota , José R Mohallem , None
DOI: 10.1016/S0166-1280(01)00592-9
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摘要: … of generating an algorithm for molecular dynamics simulations of isotope complexes of … subsequent motion results from Newtonian dynamics. In ab initio molecular dynamics (AIMD), the …
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