Integrated field modeling system

Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis

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702 19, G06F 1700

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active

059959088

ABSTRACT:
Computer modeling of charge transfers, i.e, chemical reactions is accomplished by modeling the reaction of electron donor and acceptor moieties of reactive chemicals one reaction step at a time. In the modeling process the moiety (donor/accepter atoms) position and their desired quantum values per reactant moiety are input into the computer using literature or other predetermined data. The spherical coordinate of the moieties are calculated from time zero to reaction completion constrained by the formula

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