caa a22 4500 465808441 CHVBK 20180323112109.0 cr unu---uuuuu 170327e19900301xx s 000 0 eng 10.1007/BF01160509 doi (NATIONALLICENCE)springer-10.1007/BF01160509 Location of transition states by successive orthogonal minimizations [Elektronische Daten] [Yu. Ivanov, V. Gorchakov] A simple method is proposed for location of transition states which does not use second derivatives of the energy with respect to the coordinates. The procudure implementing the described approach is fully automated and requires for its operation only the geometric parameters of the molecular system in the initial and final states. The method was verified with test chemical reactions. Plenum Publishing Corporation, 1990 Ivanov Yu Physicotechnical Scientific-Research Institute, Far-East University, Vladivostok aut Gorchakov V. Physicotechnical Scientific-Research Institute, Far-East University, Vladivostok aut Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 219-220 0040-5760 26:2<219 1990 26 11237 https://doi.org/10.1007/BF01160509 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01160509 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ivanov Yu Physicotechnical Scientific-Research Institute, Far-East University, Vladivostok aut NATIONALLICENCE 700 1- Gorchakov V. Physicotechnical Scientific-Research Institute, Far-East University, Vladivostok aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers 26/2(1990-03-01), 219-220 0040-5760 26:2<219 1990 26 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer