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Calculation of spin population
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sebastian.miranda
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0
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32
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August 31, 2010, 09:09:20 PM
by sebastian.miranda
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methods for a quality CD spectrum
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jbaltrus
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1
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284
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July 20, 2010, 04:51:22 PM
by christof.haettig
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A question on visualizing electrostatic potential
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evgeniy
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0
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550
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March 31, 2010, 03:51:54 PM
by evgeniy
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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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212
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March 31, 2010, 10:36:27 AM
by evgeniy
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$wfn - 'too many iterations in tqli'
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pandaaka
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0
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289
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March 15, 2010, 04:54:28 PM
by pandaaka
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Error message with tm2molden
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lasermichel
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0
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428
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March 08, 2010, 10:47:31 AM
by lasermichel
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molecular orbital
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wuhen
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2
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877
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December 12, 2009, 09:54:53 AM
by wuhen
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MO calculation
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wuhen
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2
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854
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October 23, 2009, 01:17:11 PM
by wuhen
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Imaginary frequency elimitation,module $vibration work
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wuhen
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2
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825
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October 09, 2009, 02:09:34 PM
by wuhen
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Fluorescence figure and $exopt add
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wuhen
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2
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810
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September 11, 2009, 02:28:14 PM
by wuhen
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Faulty wfn files
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hmsenn
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8
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1938
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July 11, 2009, 10:37:08 AM
by sebastian
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WARNING: HOMO-LUMO Gap is negativ
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tanguyv
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3
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923
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June 16, 2009, 09:35:50 AM
by tanguyv
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Bond dissociation energy
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Morgan
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1
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912
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April 29, 2009, 08:31:57 AM
by andreas
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x2t convergence factor
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klickklack
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1
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1494
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February 25, 2009, 03:17:22 PM
by uwe
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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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1334
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February 12, 2009, 12:11:43 AM
by acapobia
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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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2956
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November 01, 2008, 05:15:11 PM
by mpjohans
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plotting density of open shell
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cavallo
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3
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1903
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September 04, 2008, 09:02:22 AM
by mpjohans
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Printing overlap/fock matrix
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Molcasito
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3
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1982
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July 11, 2008, 03:20:57 PM
by Molcasito
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Projection of Charge on Elektrondensity
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slackenerny
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2
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1537
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July 10, 2008, 02:46:50 PM
by uwe
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questions on t2x
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zhangustc
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5
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3095
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July 02, 2008, 09:54:54 AM
by martijn
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