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Simulating Vibronic and Resonance Raman Spectroscopy Using the VIBRONIC module of Q-Chem
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1
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85
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June 2, 2021
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How to compute photoionization cross sections
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4
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190
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June 2, 2021
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How to compute Franck-Condon factors
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5
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354
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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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170
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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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151
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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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132
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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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109
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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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135
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May 6, 2021
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Triplet energy transfer
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1
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79
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May 24, 2021
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Q: Appropriate method for spin population
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4
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105
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May 22, 2021
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Effective Fragment Potential Method
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1
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89
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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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76
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May 17, 2021
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How to solve the crash problem of IRC calculation?
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1
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83
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May 14, 2021
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Minimum-energy crossing point between the S0 and S1
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4
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111
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May 13, 2021
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Rem variable generated by Q-Chem/CHARMM interface unrecognized by Q-Chem
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3
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81
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May 13, 2021
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Symmetry of EOM-EE(EA)-CCSD
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5
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204
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May 11, 2021
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Units of derivative coupling (non-adiabatic coupling) in output
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5
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112
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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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151
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May 9, 2021
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Error in TD-DFT (setman/rpa_dia.C): Unable to diagonalize A-B
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2
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153
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May 4, 2021
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Q-Chem on M1 processors
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4
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138
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May 4, 2021
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TDDFT- frequency calculation
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5
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138
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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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160
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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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160
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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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114
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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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130
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April 22, 2021
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RAS_FRAG_SETS Usage
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4
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93
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April 21, 2021
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Insufficient temporary storage in EvlDn0
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4
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152
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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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74
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April 16, 2021
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Platinum complex optimization problem
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12
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136
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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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98
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April 8, 2021
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