Curtis

Hirschfelder J O, Curtiss C F and Bird R B 1954 Molecular Theory of Gases and Liquids (New York Wley)... 

Curtiss L A, K Raghavachari, G W Trucks and J A Pople 1991. Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds. Journal of Chemical Physics 94 7221-7230. 

Curtiss L A, K Raghavachari, P C Redfem, V Rassolov eind J A Pople 1998. Gaussian-3 (G3) Theory for Molecules Containing First and Second-row Atoms. Journal of Chemical Physics 109 7764-7776. 

Curtiss L A, P C Redfern, K Raghavachari, V Rassolov and J A Pople 1999. Gaussian-3 Theory Using Reduced MoUer-Plesset Order. Journal of Chemical Physics 110 4703-4709. 

G3. G3 theory (Curtiss et al., 1998) is very similar to G2 except that certain refinements have been added to improve accuracy and computational efficiency. The Pople group has devised a new basis function for the largest calculation called, appropriately enough, GSlarge. 

Hirschfelder, J. O., C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids, John Wiley and Sons, New York, 1954. 

Hirschfelder, J.O. Curtiss, C.E. Bird, R.B. Molecular Theory of Gases and Liquids Wiley New York. 1954 Chapter 1. 

The original paper defining the Gaussian-2 method by Curtiss, Raghavachari, Trucks and Pople tested the method s effectiveness by comparing its results to experimental thermochemical data for a set of 125 calculations 55 atomization energies, 38 ionization potentials, 25 electron affinities and 7 proton affinities. All compounds included only first and second-row heavy atoms. The specific calculations chosen were selected because of the availability of high accuracy experimental values for these thermochemical quantities. 

Gaussian-1 theory A general procedure for prediction of molecular energies John A. Pople, Martin Head-Gordon, Douglas J. Fox, Krishnan Raghavachari and Larry A. Curtiss Journal of Chemical Physics 90 (1989) 5622-5629... 

Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks and John A. Pople... 

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