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1 полуэмпирический метод АМ1
Универсальный русско-английский словарь > полуэмпирический метод АМ1
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2 полуэмпирический квантовомеханический метод АМ1
Универсальный русско-английский словарь > полуэмпирический квантовомеханический метод АМ1
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AM1* — is a semiempirical molecular orbital technique in computational chemistry. The method was developed by Timothy Clark and his co workers (in [http://www.chemie.uni erlangen.de/ccc/index.php Computer Chemie Centrum] , [http://www.uni erlangen.de… … Wikipedia
chemical bonding — ▪ chemistry Introduction any of the interactions that account for the association of atoms into molecules, ions, crystals, and other stable species that make up the familiar substances of the everyday world. When atoms approach one another … Universalium
PM3 (chemistry) — PM3, or Parameterized Model number 3, is a semi empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Neglect of Differential Diatomic Overlap integral approximation. The PM3 … Wikipedia
SAM1 — SAM1, or Semiempirical ab initio Model 1 , is a semiempirical quantum chemistry method for computing molecular properties. It is an implementation the general Neglect of Differential Diatomic Overlap (NDDO) integral approximation, and is… … Wikipedia
PQS (chemical) — PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay s group but now it is developed and distributed commercially by Parallel Quantum Solutions. There is… … Wikipedia