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Webinar 71 by Mathew Chow: Developing NEO Methods in Q-Chem 6
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0
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616
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August 28, 2023
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TDDFT Optimization
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4
|
888
|
August 24, 2023
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How to save integration grid, weight, and density?
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3
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864
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August 23, 2023
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Electronic coupling - CDFT-CI
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4
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1342
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August 17, 2023
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The exact meaning of CHELPG_HEAD
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9
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814
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August 16, 2023
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VCI Wavefunction Overlaps?
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0
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530
|
August 16, 2023
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Omit energy of external charges from calculation
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2
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696
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August 10, 2023
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Restraints in optimisation
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6
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608
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August 9, 2023
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Extra scratch folders for 6.1
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0
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504
|
August 9, 2023
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Excited state optimization with RPA approximation
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1
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1185
|
August 9, 2023
|
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MECP at CCSD/6-31g level between T0/S1 states
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3
|
1006
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August 8, 2023
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FNO approximation using single precision
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6
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584
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August 5, 2023
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Stability_analysis
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3
|
591
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August 2, 2023
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Natural Transition Orbitals - TDDFT
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6
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1418
|
July 31, 2023
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Unit of Electrostatic Potential (ESP) Analysis in IQmol
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1
|
882
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July 31, 2023
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Qchem shell script not generated after installation
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7
|
1765
|
July 28, 2023
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ADC(2) Optimization?
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3
|
1070
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July 27, 2023
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Webinar 70 by Jonathan Wong: Calculating NMR Shielding with GIAO
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0
|
655
|
July 27, 2023
|
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SOC calculation in EOM-CCSD
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8
|
1616
|
July 26, 2023
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The unit of FED analysis
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1
|
533
|
July 24, 2023
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EE-MBE and MBCP calculations
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11
|
891
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July 20, 2023
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Optimization is not running
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6
|
760
|
July 19, 2023
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SF_STATES inconsistent
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2
|
576
|
July 17, 2023
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Showing same state twice in ADC(2) calculation
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0
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576
|
July 14, 2023
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Problems with vibrational frequency calculation
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4
|
616
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July 14, 2023
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Can Q-chem calculate vibrational circular dichroism?
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3
|
521
|
July 13, 2023
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Can qchem calculate the vibrational circular dichroism (VCD)?
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1
|
850
|
July 12, 2023
|
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Segmentation fault and Aborted
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11
|
1644
|
July 12, 2023
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Mechanical Force
|
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1
|
474
|
July 11, 2023
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Optimise in the Presence of an Electric Field
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3
|
701
|
July 11, 2023
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