Gabedit — Infobox Software name = Gabedit caption = A screenshot of Gabedit 2.0.1 developer = A.R. ALLOUCHE latest release version = 2.0.11 latest release date = May, 2007 operating system = OS Portable (Source code to work with many OS platforms) genre =… … Wikipedia
GAUSSIAN — Generally, the word Gaussian pertains to Carl Friedrich Gauss and his ideas. GAUSSIAN is a computational chemistry software program, first written by John Pople. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.4 … Wikipedia
Q-Chem — is an ab initio computational chemistry software program. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.7 pg 339, Q Chem ] Q Chem can perform a number of general quantum chemistry calculations, including… … Wikipedia
PSI (computational chemistry) — PSI is an ab initio computational chemistry package originally written by the research group of Henry F. Schaefer, III (University of Georgia). It performs high accuracy quantum computations on small to medium sized molecules. PSI3 is the latest… … Wikipedia
Grace (plotting tool) — Infobox Software name = Grace caption = Grace, showing the Fourier transform dialogue developer = Grace Development Team latest release version = 5.1.22 latest release date = May 22, 2008 operating system = Cross platform genre = license = GPL… … Wikipedia
Global array — Global Arrays, or GA, is the library developed by scientists at Pacific Northwest National Laboratory for parallel computing. GA provides a friendly API for shared memory programming on distributed memory computers for multidimensional arrays.… … Wikipedia
Molden — is a general molecular and electronic structure processing program. Molden running under Linux, showing the structure of benzene. Major features Reads output from the ab initio packages GAMESS (US), Gaussian, MOLPRO and from semi empirical… … Wikipedia
Valence bond codes — VB computer programs for modern valence bond calculations: * CRUNCH is by Gordon A. Gallup and his group. [ [http://phy ggallup.unl.edu/crunch CRUNCH] ] * GAMESS (UK) includes calculation of VB wave functions by the TURTLE code, due to J.H. van… … Wikipedia
MOLCAS — is an ab initio computational chemistry program, developed at Lund University. Focus in the program is placed on methods for calculating general electronic structures in molecular systems in both ground and excited states. MOLCAS is, in… … Wikipedia
GAMESS (US) — is a computational chemistry software program that stands for General Atomic and Molecular Electronic Structure System. [ Computational Chemistry , David Young, Wiley Interscience, 2001. Appendix A. A.2.3 pg 334, GAMESS ] [ cite… … Wikipedia
