Heats of formation of gas-phase ions calculated by composite ab initio procedures
- 30 November 1997
- journal article
- Published by Elsevier in International Journal of Mass Spectrometry and Ion Processes
- Vol. 165-166, 63-69
- https://doi.org/10.1016/s0168-1176(97)00151-1
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Gaussian-2 (G2) theory: Reduced basis set requirementsThe Journal of Chemical Physics, 1996
- A complete basis set model chemistry. V. Extensions to six or more heavy atomsThe Journal of Chemical Physics, 1996
- Heats of Formation from G2, G2(MP2), and G2(MP2,SVP) Total EnergiesThe Journal of Physical Chemistry, 1996
- A Comparison of Model ChemistriesJournal of the American Chemical Society, 1995
- Comment: On the relative heats of formation of C3H7O+ ions. An ab initio molecular orbital [G2(MP2) and CBS-Q] studyEuropean Journal of Mass Spectrometry, 1995
- A complete basis set model chemistry. IV. An improved atomic pair natural orbital methodThe Journal of Chemical Physics, 1994
- Gaussian-2 theory using reduced Mo/ller–Plesset ordersThe Journal of Chemical Physics, 1993
- Gaussian-2 theory for molecular energies of first- and second-row compoundsThe Journal of Chemical Physics, 1991
- A complete basis set model chemistry. III. The complete basis set-quadratic configuration interaction family of methodsThe Journal of Chemical Physics, 1991
- Gaussian-1 theory: A general procedure for prediction of molecular energiesThe Journal of Chemical Physics, 1989