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Competitors (1,124) Keywords 28,718,623 4,514,823 13,486,892 3,444,879 3,407,796 2,162,817 2,074,268 2,475,773 285,240 30,834,319
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Organic Listing Variations
Books and Manuals
Dec 23, 2008 ... Exploring Chemistry with Electronic Structure Methods. Soft cover, $42.00. Student† price, $35.00. Hard cover, $100.00 ...
G03 Install Notes: UNIX Source
Sep 26, 2006 ... Unix Gaussian 03 Source Installation Instructions ... setenv g03root "dir" # Set to install location for G03. % cd $g03root ...
G03 Manual: KEYWORDS
Oct 2, 2006 ... Gaussian 03 Keywords. Online Help TOC References ... Density · IRC · ReArchive · Program Development Keywords ...
Vibrational Analysis in Gaussian
All the pieces are now in place to calculate the reduced mass, force constants and cartesian displacements. Combining Equation 6 and Equation 7, ...
Thom Vreven
Jun 21, 2006 ... Development and application of the ONIOM method. The ONIOM method in Gaussian allows the user to partition a chemical system into layers, ...
Summer 05 Newsletter Intro
Summer 2005 Gaussian online newsletter. Use the navigation bar on the left to view each topic. Mailing Address: 340 Quinnipiac St., Bldg. 40 ...
G03 Manual: GUESS
Oct 2, 2006 ... This keyword controls the initial guess for the Hartree-Fock wavefunction ... Diagonalize the Harris functional [501] for the initial guess. ...
James Cheeseman
Sep 22, 2006 ... K. Ruud, P. J. Stephens, F. J. Devlin, P. R. Taylor, J. R. Cheeseman, M. J. Frisch, "Coupled-cluster calculations of optical rotation", ...
G03 Manual: GUESS
Oct 2, 2006 ... Use the Gaussian 98 default guess: INDO for first-row systems, CNDO for second-row,and Huckel for third-row and beyond. ...
Technical Support Information
Feb 29, 2008 ... White Papers and Technical Notes · Visualization Tutorial · Download Zip file of the Exploring Chemistry input files ...
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