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Webinar 45 by Maximilian Menger and Vale Cofer-Shabica: Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more
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0
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660
|
November 23, 2020
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Webinar 49 by Bushra Alam : Ab-Initio Frenkel Davydov Exciton Model: A tool to investigate collective excitations in the extended systems
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0
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606
|
April 2, 2021
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Webinar 50 by Evgeny Epifanovsky : What's New in Q-Chem 5.4
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0
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622
|
May 6, 2021
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Q: Appropriate method for spin population
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4
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855
|
May 22, 2021
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Effective Fragment Potential Method
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1
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620
|
May 18, 2021
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IQMOL Question: Is it possible to plot Frontier Density Surface?
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2
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475
|
May 17, 2021
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Minimum-energy crossing point between the S0 and S1
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4
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798
|
May 13, 2021
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Units of derivative coupling (non-adiabatic coupling) in output
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5
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1670
|
May 11, 2021
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Dummy atoms and constrained geometry optimization
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10
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1220
|
May 9, 2021
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TDDFT- frequency calculation
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5
|
1263
|
May 3, 2021
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CIS(D) calculation memory problem
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3
|
992
|
May 3, 2021
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Want to know about the OD(T) method
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7
|
667
|
April 24, 2021
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QCHEM and CHARMM QM/MM
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4
|
528
|
April 22, 2021
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Unanswered iQmol / Q-Chem question on Matter Modeling Stack Exchange
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3
|
612
|
April 22, 2021
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Insufficient temporary storage in EvlDn0
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4
|
591
|
April 16, 2021
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Problem with optimal tuning for range separated functional
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2
|
544
|
April 16, 2021
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Platinum complex optimization problem
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12
|
660
|
April 12, 2021
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Double precision for C-DFTCI results
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1
|
478
|
April 8, 2021
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Questions about AIMD calculations
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2
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447
|
April 7, 2021
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How to simulate L-edge XAS and XPS with EOM-CCSD
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1
|
684
|
March 29, 2021
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QM/MM with point charge equal to zero problem
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2
|
437
|
March 29, 2021
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Spin-orbit and memory
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4
|
1533
|
March 21, 2021
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C-DFT-CI including localized excited state
|
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8
|
956
|
March 19, 2021
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QM/MM optimizations with constraints and L-BFGS algorithm
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1
|
591
|
March 19, 2021
|
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EOM-EA Frequency Analysis Stalling
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4
|
709
|
March 18, 2021
|
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Memory Problems with ADC2 calculations
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4
|
1585
|
March 17, 2021
|
|
Solvatochromism and Non-Eq PCM with TDDFT
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1
|
678
|
March 17, 2021
|
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Spin densities from adaptive sampling SCF calculations
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5
|
621
|
March 12, 2021
|
|
Imaginary frequency
|
|
5
|
1974
|
March 11, 2021
|
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EOM-CCSD problem with symmetry
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3
|
603
|
March 6, 2021
|