Matches in SemOpenAlex for { <https://semopenalex.org/work/W1833588949> ?p ?o ?g. }
- W1833588949 abstract "A short survey of the general principles and various applications of molecular mechanics (MM) is presented.The origin of molecular mechanics and its evolution is followed starting from “pre-computer” and the first computer-aided estimations of the structure and potential energy of simple molecular systems to the modern force fields and the large system computations. The problem of “classic mechanics” description of essentially quantum properties and processes is considered. Various approaches to a selection of force field mathematical expressions and parameters are reviewed. The relation between MM simplicity and “physical nature” of the properties and events is examined. The possibility of a priori predictions of the properties of large systems is discussed in view of modern improvements of MM scheme. Quantum chemistry contributions to MM description of complex molecular and biomolecular systems are considered." @default.
- W1833588949 created "2016-06-24" @default.
- W1833588949 creator A5015704164 @default.
- W1833588949 date "2011-01-01" @default.
- W1833588949 modified "2023-09-27" @default.
- W1833588949 title "Molecular Mechanics: Method and Applications" @default.
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