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MOs for a doublet system using Restricted open-shell
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1
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530
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February 23, 2023
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Question for Standard nuclear orientation
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4
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480
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February 22, 2023
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Cannot find IQmol support
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4
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635
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February 21, 2023
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Broken link in the webinar
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0
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323
|
February 17, 2023
|
|
How to obtain rpath
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4
|
580
|
February 17, 2023
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How to mix calculation methods for a big sized systems??
|
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3
|
532
|
February 16, 2023
|
|
Possible error in the manual
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3
|
369
|
February 16, 2023
|
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How to solve IRC oscillation and obtain IRC figure with mass-weighted coordinates?
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8
|
847
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February 14, 2023
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|
CCSD(T) calculations under big sized systems
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|
2
|
670
|
February 14, 2023
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EOM-CCSD NDO outut
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3
|
609
|
February 13, 2023
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Failed H2O simulation - Beginner
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4
|
445
|
February 11, 2023
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How to obtain IRC figure
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|
3
|
792
|
February 11, 2023
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Failed to read orbitals in a triplet PP calculation
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2
|
504
|
February 10, 2023
|
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Transition state from from reactant and product structures Vfile?
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1
|
656
|
February 7, 2023
|
|
Fixed carbon nanotube and optimize chain water
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3
|
397
|
February 6, 2023
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Change in energy in electric field is not what I would expect?
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2
|
527
|
February 4, 2023
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System has a charge
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10
|
524
|
February 3, 2023
|
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Is Nucleus-field progress useful to chemists?
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5
|
548
|
February 1, 2023
|
|
ASCI with SYMMETRY
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|
1
|
349
|
January 30, 2023
|
|
Crash reporter still active?
|
|
2
|
339
|
January 30, 2023
|
|
Spin-flip EOM discontinuities
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2
|
542
|
January 19, 2023
|
|
Could not open driver file in ReadDriverFromDisk
|
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1
|
532
|
January 18, 2023
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Transition Dipole Moments for SA-SF-DFT
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2
|
624
|
January 17, 2023
|
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Dummy atom and pes_scan
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|
5
|
556
|
January 14, 2023
|
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Stand-alone QM/MM using CHARMM parameters
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3
|
446
|
January 13, 2023
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RASCI calcualtion will crash with large active space, is it possible to solve?
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1
|
502
|
January 12, 2023
|
|
What's the meaning of Colinear Bend Constraint
|
|
10
|
718
|
January 10, 2023
|
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Frequency calculation not completing
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3
|
700
|
January 7, 2023
|
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Seam ponit only
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1
|
566
|
December 29, 2022
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Optimization problem in mecp
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|
1
|
640
|
December 25, 2022
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