caa a22 4500 463239733 CHVBK 20180405153309.0 cr unu---uuuuu 170326e20070101xx s 000 0 eng 10.1007/s10947-007-0148-z doi (NATIONALLICENCE)springer-10.1007/s10947-007-0148-z Chugreev A. Faculty of Chemistry, Moscow State University. L. Ya. Karpov Physicochemical Research Institute, Moscow aut New generation of semiempirical methods of molecular modeling based on the theory of group functions [Elektronische Daten] [A. Chugreev] The semiempirical methods of modeling the molecular systems using the group function approximation for electronic structure calculations have been used by the author for many years. The review discusses the general structure of the semiempirical method that uses the group functions and the results obtained by the particular methods, namely, the crystal field effective Hamiltonian method designed for systems containing transition metal ions and methods based on the strictly local geminal approximation designed for modeling the "organic” molecules. Springer Science+Business Media, Inc., 2007 quantum chemistry nationallicence semiempirical methods nationallicence group functions nationallicence effective Hamiltonian nationallicence Journal of Structural Chemistry Springer US 48(2007-01-01), S32-S54 0022-4766 48<S32 2007 48 10947 https://doi.org/10.1007/s10947-007-0148-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0148-z text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Chugreev A. Faculty of Chemistry, Moscow State University. L. Ya. Karpov Physicochemical Research Institute, Moscow aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Springer US 48(2007-01-01), S32-S54 0022-4766 48<S32 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer