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How to compute Franck-Condon factors
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5
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2193
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June 2, 2021
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Webinar 42 by István Ladjánszki: GPU Computing with Q-Chem and BrianQC
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1
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866
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May 26, 2021
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Webinar 44 by Maximilian Menger: PySurf - A Framework for Database Accelerated Direct Dynamics
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0
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717
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October 28, 2020
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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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760
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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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707
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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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727
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May 6, 2021
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Q: Appropriate method for spin population
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4
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1136
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May 22, 2021
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Effective Fragment Potential Method
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1
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749
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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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588
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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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943
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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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2152
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May 11, 2021
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Dummy atoms and constrained geometry optimization
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10
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1465
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May 9, 2021
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TDDFT- frequency calculation
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5
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1470
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May 3, 2021
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CIS(D) calculation memory problem
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3
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1247
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May 3, 2021
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Want to know about the OD(T) method
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7
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797
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April 24, 2021
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QCHEM and CHARMM QM/MM
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4
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694
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April 22, 2021
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Unanswered iQmol / Q-Chem question on Matter Modeling Stack Exchange
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3
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754
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April 22, 2021
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Insufficient temporary storage in EvlDn0
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4
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755
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April 16, 2021
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Problem with optimal tuning for range separated functional
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2
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634
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April 16, 2021
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Platinum complex optimization problem
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12
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775
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April 12, 2021
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Double precision for C-DFTCI results
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1
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566
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April 8, 2021
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Questions about AIMD calculations
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2
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538
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April 7, 2021
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How to simulate L-edge XAS and XPS with EOM-CCSD
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1
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800
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March 29, 2021
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QM/MM with point charge equal to zero problem
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2
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521
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March 29, 2021
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Spin-orbit and memory
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4
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1826
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March 21, 2021
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C-DFT-CI including localized excited state
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8
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1142
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March 19, 2021
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QM/MM optimizations with constraints and L-BFGS algorithm
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1
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705
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March 19, 2021
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EOM-EA Frequency Analysis Stalling
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4
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794
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March 18, 2021
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Memory Problems with ADC2 calculations
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4
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1851
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March 17, 2021
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Solvatochromism and Non-Eq PCM with TDDFT
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1
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767
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March 17, 2021
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