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quadrupole moments
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a.karl
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1
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2178
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March 04, 2008, 10:32:28 AM
by christof.haettig
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Mulliken charges for MP2 ground state from RICC2 module
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acapobia
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4
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2898
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February 12, 2009, 12:11:43 AM
by acapobia
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MOs with electric field / parallelization w field activated
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acapobia
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1
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329
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October 24, 2012, 06:43:55 PM
by acapobia
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Cube format and ECPs
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antti_karttunen
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2
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2452
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March 06, 2008, 11:40:17 AM
by antti_karttunen
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egrad does not write ed.plt
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antti_karttunen
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2
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2566
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June 26, 2008, 10:23:30 AM
by antti_karttunen
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how to calculate the spin natural orbital
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ardie
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0
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273
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November 13, 2012, 01:35:05 PM
by ardie
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option -proper
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arek1arek
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3
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3041
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March 14, 2008, 05:30:48 PM
by uwe
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differential density
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arek1arek
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1
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2704
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March 27, 2008, 08:10:36 PM
by arek1arek
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plotting density of open shell
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cavallo
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4
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3047
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February 15, 2013, 02:51:29 PM
by resofidentity
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aoforce2g98: visualize lowest eigenvalue search ($les) vibrational mode?
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chburger
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2
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4196
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November 01, 2008, 05:15:11 PM
by mpjohans
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s- p- and d-orbtial coefficients of a single MO and or a bond
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Chris
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1
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1695
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January 20, 2011, 02:33:01 PM
by christof.haettig
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atomic electron density
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dinos
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1
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2131
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May 10, 2007, 10:08:55 PM
by turbomaster
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Generating .plt file
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dps17
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2
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2370
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April 17, 2007, 10:04:54 PM
by dps17
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orbital visualization molden/molekel differences
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e.berardo
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1
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704
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May 29, 2012, 11:43:05 AM
by e.berardo
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A problem with tm2molden in the case of dummy atoms (q)
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evgeniy
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0
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990
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March 31, 2010, 10:36:27 AM
by evgeniy
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A question on visualizing electrostatic potential
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evgeniy
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0
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1369
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March 31, 2010, 03:51:54 PM
by evgeniy
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Visualization
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Gopakumar
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2
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3094
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January 22, 2007, 02:17:44 PM
by antti_karttunen
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Atomic Orbital Contributions to MO
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Gopakumar
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2
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2417
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May 13, 2007, 01:37:27 PM
by christof.haettig
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LCAO coefficients
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Gopakumar
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0
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1642
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December 13, 2007, 11:37:28 AM
by Gopakumar
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Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis
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greisen
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0
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926
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July 14, 2011, 01:51:03 PM
by greisen
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