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No new posts Q-Chem specific questions
Error for EDA fragment calculation
— hezhu
 0 119 By: hezhu >>
On: Mon Dec 24, 2018 2:18 pm
No new posts Q-Chem specific questions
Choose a guess run in a batch job
— enka_letka
 0 174 By: enka_letka >>
On: Mon Dec 10, 2018 3:51 pm
No new posts Community
hello everyone
— hismaimai8888
 1 602 By: pontrumlee >>
On: Wed Dec 05, 2018 3:20 pm
No new posts Q-Chem specific questions
Spin constraints for SF-DFT optimization and FSM pathways
— rymac
 5 21041 By: Mukunda >>
On: Fri Nov 30, 2018 1:53 am
No new posts Q-Chem specific questions
Douglas-Kroll-Hess Transformation
— hismaimai7777
 0 248 By: hismaimai7777 >>
On: Thu Nov 29, 2018 3:46 am
No new posts Q-Chem specific questions
Parallelisation in double hybrid DFT
— bobsyouruncle
 0 551 By: bobsyouruncle >>
On: Thu Nov 15, 2018 1:50 am
No new posts Other Announcements
Postdoc Position in Southern California in Computational Chemistry/Materials/Physics
— bmwong01
 0 2050 By: bmwong01 >>
On: Fri Nov 02, 2018 9:31 am
No new posts Q-Chem specific questions
XYG3 in QCHEM 5.1
— anajibi
 0 9567 By: anajibi >>
On: Thu Oct 11, 2018 11:45 pm
No new posts Q-Chem specific questions
cistr_print accuracy
— Rilah
 0 10645 By: Rilah >>
On: Mon Oct 01, 2018 2:42 pm
No new posts Other Announcements
Computational Chemist position at innovative and impactful biotech.
— LauraGTN
 0 12962 By: LauraGTN >>
On: Mon Sep 24, 2018 5:33 pm
No new posts Q-Chem specific questions
Transition Quadrupole Moment
— hismaimai2000
 0 10293 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 15342 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 17664 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 11278 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 11926 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 17353 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 15098 By: pavel >>
On: Mon Aug 13, 2018 10:15 am
No new posts About the forum
Sticky: Welcome!
— iopenshell
 20 189689 By: quantumchem >>
On: Mon Jul 30, 2018 11:18 am
No new posts Q-Chem specific questions
about cdft input
— waldner
 0 14218 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 13457 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 18400 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 15812 By: pavel >>
On: Sun Jul 01, 2018 2:45 am
No new posts Technical questions
Real Time TDDFT spectra
— emanuele
 0 20136 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 15247 By: pavel >>
On: Sun Jun 24, 2018 7:33 am
No new posts Q-Chem specific questions
ESP of the transition density
— lwmod
 1 19794 By: pavel >>
On: Tue May 22, 2018 4:40 pm

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