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Special Webinar Event: Teaching with Q-Chem
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2
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122
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September 5, 2021
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Webinar 51 by John Herbert: Implicit Solvation Models in Q-Chem, for Ground and Excited States
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7
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236
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August 21, 2021
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PCM Dummy Cavities
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9
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168
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August 21, 2021
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Webinar 56 by Martin Head-Gordon: Evaluating Oxidation States in Challenging Organometallic Complexes: What are the Electrons Doing?
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0
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79
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August 16, 2021
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Imaginary frequency in CPCM solvent
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19
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183
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August 16, 2021
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Geometry optimisation with constraints
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7
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133
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August 13, 2021
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QCT MD example calculations fail
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2
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75
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August 13, 2021
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M1 transition moments
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4
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92
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August 13, 2021
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Simulating Vibronic and Resonance Raman Spectroscopy Using the VIBRONIC module of Q-Chem
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5
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193
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August 7, 2021
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Adding multipole field in calculations with PCM solvents
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1
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44
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July 28, 2021
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Transition Dipole Moment from ADC2/DIIS Algorithm is different from ADC2/Davidson
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4
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99
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July 28, 2021
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IQmol Hydrogen Visibility
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2
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69
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July 26, 2021
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PES scan with spin change
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2
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106
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July 19, 2021
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Running an interrupted job
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2
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120
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July 17, 2021
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Addition of an electric field without point charges
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1
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70
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July 17, 2021
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Webinar 54 by WanZhen Liang: Computationally Efficent Approaches to Vibronic Electronic and Resonant Raman Scattering Spectra
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0
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101
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July 7, 2021
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Printing grid information for DFT jobs
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4
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162
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July 8, 2021
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FSSH_CONTINUE : Error reading in TMP file 396/0 (8)
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5
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84
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July 7, 2021
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Allocating memory in Windows
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4
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158
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July 7, 2021
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Q-Chem fetal error (srVWN)
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4
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104
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July 6, 2021
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Print symmetry labels for MOs
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5
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107
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June 30, 2021
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Webinar 53 by Selim Sami: Q-Force: Automated parametrization of QM-based force fields using Q-Chem
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0
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169
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June 10, 2021
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EFP-PCM hugely overestimating excitation energies
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3
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115
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June 29, 2021
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Negative frequency
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13
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346
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June 26, 2021
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Default PCM during a TDDFT/PCM calcualtion
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6
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134
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June 25, 2021
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ADC(2) calculation does not run with auxiliary basis
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10
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209
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June 25, 2021
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Can MEM_STATIC be set to more than 2 GB?
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7
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188
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June 25, 2021
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TD-DFT: Ordering of excited states
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1
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100
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June 24, 2021
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Orientation of transition dipole moment changes during optimization; does this mean something?
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2
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322
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June 24, 2021
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EFP print out during excited state calculations
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0
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86
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June 23, 2021
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