Anharmonic force fields of cis- and trans-S1 C2H2
Tóm tắt
Từ khóa
Tài liệu tham khảo
Baraban JH, 2012, Mol. Phys.
Stanton , JF , Gauss , J , Watts , JD , Szalay , PG and Bartlett , RJ . with contributions from: A.A. Auer, D.E. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusèlius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.R. Price, K. Ruud, F. Schiffmann, A. Tajti, M.E. Varner, J. Vázquez and including the integral packages: MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J.Aa. Jensen, P. Jørgensen and J. Olsen), CFOUR 2005–2008, seehttp://www.cfour.de
Kállay M, 2001, MRCC, a string-based quantum chemical program suite. See also M. Kállay and P.R. Surján, J. Chem. Phys. 115, 2945,
