Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis
Patent
1994-07-11
1999-11-30
Cuchlinski, Jr., William A.
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Chemical analysis
702 19, G06F 1700
Patent
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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Cuchlinski Jr. William A.
Pipala Edward J.
Pullen Margaret I.
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