- AM1 semi-empirical method
- Макаров: полуэмпирический метод АМ1
Универсальный англо-русский словарь. Академик.ру. 2011.
AM1 semi-empirical method
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Semi-empirical quantum chemistry method — Semi empirical quantum chemistry methods are based on the Hartree Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where… … Wikipedia
AM1 — AM1, or Austin Model 1, 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. Specifically, it is a … Wikipedia
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
MINDO — MINDO, or Modified Intermediate Neglect of Differential Overlap is a semi empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the Intermediate Neglect of Differential Overlap… … Wikipedia
MNDO — MNDO, or Modified Neglect of Differential Overlap 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… … Wikipedia
MOPAC — In computational chemistry, MOPAC is a popular computer program designed to implement semi empirical quantum chemistry algorithms, such as MINDO, MNDO, AM1, PM3, PM5, [http://www.sparkle.pro.br Sparkle/AM1, Sparkle/PM3] and… … 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
Zero-differential overlap — is an approximation that is used to ignore certain integrals, usually two electron repulsion integrals, in Semi empirical quantum chemistry methods quantum chemistry molecular orbital methods.If the molecular orbitals mathbf{Phi} i are expanded… … Wikipedia
