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No new posts Q-Chem specific questions
Transition Quadrupole Moment
— hismaimai2000
 0 6 By: hismaimai2000 >>
On: Fri Sep 21, 2018 7:00 am
No new posts Electronic Structure and Quantum Chemistry
Excited state of diradicals (triplet ground state)
— kirby
 0 31 By: kirby >>
On: Sat Sep 15, 2018 7:39 am
No new posts Other Announcements
Postdoctoral Vacancy_MD/ab initio MD(AIMD) with Python coding
— akbar256
 2 1710 By: thehay95 >>
On: Fri Sep 14, 2018 8:40 am
No new posts Other Announcements
Post-doctoral Position in Theoretical Gas-Phase Physical Chemistry, Sandia National Laboratories, Livermore, California
— rodaz4167
 0 154 By: rodaz4167 >>
On: Mon Sep 10, 2018 5:15 pm
No new posts Other Announcements
Assistant Professor position in Computational Chemistry U of South Carolina
— sgarashc
 0 273 By: sgarashc >>
On: Wed Sep 05, 2018 3:16 pm
No new posts Q-Chem specific questions
qchem compilation error - OpenBLAS linking error?
— hopefulp
 2 1392 By: hopefulp >>
On: Tue Aug 14, 2018 4:49 am
No new posts Q-Chem specific questions
EOM-CCSD and EOM-CCSD(t) energies same
— chemistry
 1 1073 By: pavel >>
On: Mon Aug 13, 2018 10:15 am
No new posts About the forum
Sticky: Welcome!
— iopenshell
 20 125548 By: quantumchem >>
On: Mon Jul 30, 2018 11:18 am
No new posts Q-Chem specific questions
about cdft input
— waldner
 0 1510 By: waldner >>
On: Tue Jul 24, 2018 5:00 am
No new posts Other Announcements
Post doc position at Department of Physics Sapienza University of Rome
— stefano_lupi
 0 1386 By: stefano_lupi >>
On: Mon Jul 16, 2018 1:47 pm
No new posts Q-Chem specific questions
Splitting up a frequency calculation
— mrb289
 3 2270 By: pavel >>
On: Tue Jul 10, 2018 7:16 am
No new posts Q-Chem specific questions
Error when running FREQ calculations with (any) PCM
— espottesmith
 1 2199 By: pavel >>
On: Sun Jul 01, 2018 2:45 am
No new posts Q-Chem specific questions
Spin constraints for SF-DFT optimization and FSM pathways
— rymac
 4 2734 By: rymac >>
On: Fri Jun 29, 2018 4:53 pm
No new posts Technical questions
Real Time TDDFT spectra
— emanuele
 0 2216 By: emanuele >>
On: Fri Jun 29, 2018 2:53 pm
No new posts Q-Chem specific questions
SF-ADC(3) analytical excited state gradient
— moabe
 1 2093 By: pavel >>
On: Sun Jun 24, 2018 7:33 am
No new posts Q-Chem specific questions
ESP of the transition density
— lwmod
 1 6677 By: pavel >>
On: Tue May 22, 2018 4:40 pm
No new posts Q-Chem specific questions
overlap
— waldner
 1 3089 By: pavel >>
On: Tue May 22, 2018 4:32 pm
No new posts Q-Chem specific questions
How to set up a transition state search and how to set up and use frozen string
— rt401
 1 4116 By: pavel >>
On: Tue May 22, 2018 4:29 pm
No new posts Q-Chem specific questions
A quick question about GDIIS optimization algorithm
— belladaisy2018
 1 4859 By: pavel >>
On: Tue May 22, 2018 4:23 pm
No new posts Q-Chem specific questions
Printing frequency of the modes with 5 digits after the decimal
— sivasudhan
 0 2189 By: sivasudhan >>
On: Tue May 15, 2018 4:28 am
No new posts Q-Chem specific questions
ADC(2) transition densites
— spneville
 0 2146 By: spneville >>
On: Mon May 14, 2018 5:53 pm
No new posts Q-Chem specific questions
MPI and OpenMP not using multiple nodes
— dahvyd
 1 25930 By: rangsiman >>
On: Wed Apr 18, 2018 3:31 am
No new posts Q-Chem specific questions
How to implement correct EDA for diradical species with DFT
— chf42
 0 6070 By: chf42 >>
On: Mon Apr 02, 2018 4:23 pm
No new posts Q-Chem specific questions
Print out coupled cluster density matrix
— lonelygleaner
 0 5927 By: lonelygleaner >>
On: Thu Mar 29, 2018 4:07 pm
No new posts Q-Chem specific questions
Plotting Dyson Orbitals in IQMol
— bounty
 3 7791 By: sgozem >>
On: Tue Mar 27, 2018 11:16 pm

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