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Electronic Structure and Quantum Chemistry

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Gaussian03:Transition state search
— gungunlin
 2 772 By: elispene >>
On: Fri Nov 20, 2009 10:58 pm
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General question regarding basis set for heavy atoms
— elispene
 0 26 By: elispene >>
On: Fri Nov 20, 2009 10:54 pm
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nanoclusters
— neerajmisra
 12 977 By: mzh >>
On: Sun Nov 15, 2009 10:16 am
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frequency calculation
— a student
 1 171 By: mzh >>
On: Sun Nov 15, 2009 10:13 am
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TS of bridged cation
— mzh
 1 72 By: mzh >>
On: Fri Nov 13, 2009 9:18 am
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strategies for transition state searches
— pez48
 13 6988 By: watanabe >>
On: Fri Oct 09, 2009 8:22 am
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About the Hartree-Fock LUMO energy
— Marisa_Kirisame
 3 399 By: Marisa_Kirisame >>
On: Tue Sep 29, 2009 1:33 pm
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Grad level quantum chemistry books?
— vunderkind
 17 7193 By: kadir >>
On: Wed Sep 23, 2009 2:59 am
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electron density calculation with GAMESS
— a student
 0 203 By: a student >>
On: Thu Sep 17, 2009 2:52 pm
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cc-pVTZ basisi set for polarizability calculations
— existence
 1 313 By: kadir >>
On: Sat Sep 12, 2009 7:15 am
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Doping
— neeraj
 1 296 By: neeraj >>
On: Sun Sep 06, 2009 3:20 am
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DFT orbitals
— vadim
 6 1196 By: Marisa_Kirisame >>
On: Mon Aug 10, 2009 4:13 pm
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The order of magnitude of correlation energy and Thomas-Fermi model for molecule
— Marisa_Kirisame
 4 2085 By: Marisa_Kirisame >>
On: Mon Aug 10, 2009 3:56 pm
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Book on Cold Molecules
— kirhist
 0 210 By: kirhist >>
On: Fri Jul 24, 2009 5:52 pm
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New book: Vibrationally Mediated Photodissociation
— zamik
 0 361 By: zamik >>
On: Fri Jun 05, 2009 6:24 am
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Calculations on Heterocyclic Propellanes
— Stefan Kolev
 0 701 By: Stefan Kolev >>
On: Tue Apr 21, 2009 12:50 pm
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about H2 molecule on stretching
— anupvthomas
 13 1805 By: anupvthomas >>
On: Tue Mar 31, 2009 8:06 am
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deprotonation transition state G03
— andreea
 4 1182 By: andreea >>
On: Sun Feb 08, 2009 6:27 pm
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gaussian 03 yardım lütfen?
— taha55
 3 1312 By: taha55 >>
On: Sun Jan 11, 2009 7:39 pm
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DFT and Dunning's basis sets
— kadir
 3 5007 By: Dstyle >>
On: Thu Aug 21, 2008 11:38 pm
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Does anybody have any good methods for finding H2-loss transition states
— wazoo42
 3 1322 By: wazoo42 >>
On: Tue Aug 12, 2008 4:59 pm
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Atomic Scale Design Network (ASDN)
— korkin
 0 1129 By: korkin >>
On: Sat Jun 07, 2008 1:40 pm
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Describing a Group Theoretical Property Concisely
— TheMatt
 4 1616 By: TheMatt >>
On: Tue Mar 18, 2008 5:04 pm
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Teaching quantum mechanics and electronic structure
— kadir
 1 2155 By: kadir >>
On: Sat Mar 01, 2008 2:12 am
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ionized states
— piotr
 3 1296 By: krylov >>
On: Wed Jan 30, 2008 1:44 pm

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