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Failed to check the license
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2
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1554
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December 5, 2020
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Is it valid to use MOs other than canonical HF orbitals to run EOM-CC calculations
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4
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2288
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December 3, 2020
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Webinar 46 Wormit Award Mini-Symposium by PAVEL POKHILKO and YUEZHI MAO
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1
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1256
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December 3, 2020
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Problem when zsh source qcenv.sh file
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2
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926
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November 30, 2020
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Missing output files with transmission calculation
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5
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1553
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November 25, 2020
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Compute E-field at nuclear positions
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1
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901
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November 24, 2020
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Ssh connection from IQmol on Mac
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5
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1918
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November 19, 2020
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Molden file for an excited state
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5
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2044
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November 17, 2020
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SOC between lowest lying singlet and triplet excited state
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5
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1572
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November 4, 2020
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Using AMOEBA on Q-Chem (or interface Tinker/Q-Chem)
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3
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1213
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October 30, 2020
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How to run Q-Chem on Azure Cloud
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1
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1134
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October 30, 2020
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Q-Chem fatal error occurred in module 0 and forms2/ShlPairs.C
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5
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2712
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October 28, 2020
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Insuffcient virtual memory
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2
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1187
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October 23, 2020
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Q-Chem user manual references
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2
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1188
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October 23, 2020
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Composite QM methods
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1
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811
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October 11, 2020
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Unable to allocate requested memory in mega_alloc
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1
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1298
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October 10, 2020
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AIMD for reaction
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2
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1058
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October 9, 2020
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How to set up a QM/MM-Ewald calculation
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1
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1036
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September 8, 2020
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QM/MM energies within ONIOM and Janus schemes
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2
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1424
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September 4, 2020
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How to compute SOCs and how to make sense out of them
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2
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4616
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August 12, 2020
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QM/MM optimization
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3
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1197
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August 11, 2020
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Size of molecular systems for NTOs analysis in TPA
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6
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984
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August 10, 2020
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Simulating Photoelectron Spectroscopy using Q-Chem with ezDyson and ezSpectrum
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2
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3992
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July 30, 2020
|
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How to get quality graphics from IQmol
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0
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4523
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July 9, 2020
|
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How to simulate valence-to-core X-ray emission spectroscopy (VtC-XES) with TDDFT and MOM
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0
|
1449
|
July 6, 2020
|
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How to simulate X-ray absorption spectroscopy (XAS) with TDDFT
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0
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2235
|
July 6, 2020
|
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Is FNO approximation applicable to EOM-EE-CCSD?
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2
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901
|
July 7, 2020
|
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Resonances with projected-CAP
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1
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740
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July 7, 2020
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What to do if Q-Chem can't determine orbital irrep?
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1
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1836
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July 5, 2020
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How to plot diffuse orbitals in IQmol?
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1
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1108
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July 4, 2020
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