SAM1

SAM1

Jesse Russell Ronald Cohn

     

бумажная книга



ISBN: 978-5-5113-4295-5

High Quality Content by WIKIPEDIA articles! 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 efficient and accurate. Related methods are AM1, PM3 and the older MNDO.