Accurate first principles calculations on chlorine fluoride ClF and its ions ClF± - Theoretical Chemistry Accounts
- ️Mavridis, Aristides
- ️Tue Jan 07 2014
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CFOUR, a quantum chemical program package written by Stanton JF, Gauss J, Harding ME, Szalay PG with contributions from Auer AA, Bartlett RJ, Benedikt U, Berger C, Bernholdt DE, Bomble YJ, Cheng L, Christiansen O, Heckert M, Heun O, Huber C, Jagau T-C, Jonsson D, Jusélius J, Klein K, Lauderdale WJ, Matthews DA, Metzroth T, Mück LA, O’Neill DP, Price DR, Prochnow E, Puzzarini C, Ruud K, Schiffmann F, Schwalbach W, Stopkowicz S, Tajti A, Vázquez J, Wang F, Watts JD and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (Helgaker T, Jensen HJ, Jørgensen P, Olsen J), and ECP routines by Mitin AV, van Wüllen C. For the current version, see http://www.cfour.de
MOLPRO is a package of ab initio programs written by Werner H-J, Knowles PJ, Knizia G, Manby FR, Schütz M, Celani P, Korona T, Lindh R, Mitrushenkov A, Rauhut G, Shamasundar KR, Adler TB, Amos RD, Bernhardsson A, Berning A, Cooper DL, Deegan MJO, Dobbyn AJ, Eckert F, Goll E, Hampel C, Hesselmann A, Hetzer G, Hrenar T, Jansen G, Köppl C, Liu Y, Lloyd AW, Mata RA, May AJ, McNicholas SJ, Meyer W, Mura ME, Nicklaß A, O’Neill DP, Palmieri P, Peng D, Pflüger K, Pitzer R, Reiher M, Shiozaki T, Stoll H, Stone AJ, Tarroni R, Thorsteinsson T, Wang M
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