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Welcome to Q-Chem Talk
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1
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1346
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July 1, 2020
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Nonadiabatic Coupling using SF-TDDFT method
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1
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17
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May 17, 2024
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Error while running an excited state frequency job calculation using the TDDFT method
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1
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23
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May 18, 2024
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ALMO-EDA with user-defined basis
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1
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33
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May 16, 2024
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EDA 2 calculation not converging
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6
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322
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May 17, 2024
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Q-Chem Webinar 72
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4
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58
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May 17, 2024
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SMD/SM12 solvation model
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3
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74
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May 16, 2024
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Simulate UV-Vis spectra using SF-TDDFT
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5
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103
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May 15, 2024
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Calculate the nonadiabatic coupling with external charge
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8
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86
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May 15, 2024
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Asci / active size
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2
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283
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May 14, 2024
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FNO along with single prec
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3
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69
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May 11, 2024
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User-defined basis
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2
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49
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May 10, 2024
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How to compute NOs and NTOs for all states and transitions in a RAS-2SF calculation?
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7
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98
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May 2, 2024
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ELF Keyword EXCHANGE is uninitialized in rem vector
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5
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56
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April 30, 2024
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Proton transfer in a Donor-Acceptor system
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1
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65
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April 30, 2024
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Spin-Orbit coupling with SF-TDDFT
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6
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125
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April 30, 2024
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Binding Energy Calculation Using CCSD(T) and EOM-CCSD
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4
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92
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April 29, 2024
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Wrong scf solution in the presence of effective fragments
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13
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98
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April 28, 2024
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Q-Chem Webinar 72: Multiscale free energy simulations of biochemical reactions using QMHub
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0
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72
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April 25, 2024
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CPSCF failed to converge
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2
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75
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April 25, 2024
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Unexpected ROKS difference density
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13
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233
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April 25, 2024
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wB97M-V for excited states
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4
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87
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April 23, 2024
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SAPT calculation error
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4
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101
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April 23, 2024
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Cuda_error_out_of_memory
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9
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65
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April 23, 2024
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SCF failed to converge
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7
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233
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April 17, 2024
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Global density dependent (GDD) tuning procedure
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3
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92
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April 17, 2024
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Keywords for finding the strength value using SF-TDDFT method
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7
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214
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April 17, 2024
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Optimization energies in IQmol
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2
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55
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April 16, 2024
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Is this too little resources
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3
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60
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April 15, 2024
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Qm/mm calculation
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2
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105
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April 9, 2024
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