ISOEFF98 swMATH ID: 1351 Software Authors: Anisimov, Victor; Paneth, Piotr Description: ISOEFF98. A program for studies of isotope effects using Hessian modifications. A new program for calculations of isotope effects has been developed. It requires only force constants for substrate and transition states as the external data. All other calculational steps are integrated into the program. ISOEFF98 has features of Hessian modification and scale factor optimization. The first of these allows studies of isotope effect changes upon weakening or strengthening of internal coordinates. The second feature allows fitting of the calculated isotope effects to the experimental value by scaling of molecular frequencies. Homepage: http://www.springerlink.com/content/l3uwn8n011283250/ Related Software: GAUSSIAN; SULISO; GAMESS Cited in: 1 Publication Standard Articles 1 Publication describing the Software, including 1 Publication in zbMATH Year ISOEFF98. A program for studies of isotope effects using Hessian modifications. Zbl 1048.92500Anisimov, Victor; Paneth, Piotr 1999 Cited by 2 Authors 1 Anisimov, Viktor Aleksandrovich 1 Paneth, Piotr Cited in 1 Serial 1 Journal of Mathematical Chemistry Cited in 1 Field 1 Biology and other natural sciences (92-XX) Citations by Year