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No new posts Q-Chem specific questions
ADC(2) Calculations
— spinor
 1 40 By: pavel >>
On: Mon Jul 15, 2019 9:55 am
No new posts Q-Chem specific questions
The orbital transition contribution in the electronic excitation process
— yingli
 1 27 By: pavel >>
On: Mon Jul 15, 2019 9:30 am
No new posts Technical questions
TD-DFT static memory issue
— georgia
 1 37 By: pavel >>
On: Mon Jul 15, 2019 9:11 am
No new posts Q-Chem specific questions
SF TDDFT calculation problem
— MoiraWang
 1 79 By: pavel >>
On: Mon Jul 15, 2019 9:08 am
No new posts Q-Chem specific questions
Unable to invoke RI-JK approximation for DFT
— angsj
 0 88 By: angsj >>
On: Tue Jun 04, 2019 7:29 pm
No new posts Q-Chem specific questions
Problem in generating ezDyson input
— chemistry
 0 91 By: chemistry >>
On: Wed May 22, 2019 11:15 am
No new posts Other Announcements
PhD position Paris, France – DFT-MD and FF-MD simulations
— gaigeot2
 0 401 By: gaigeot2 >>
On: Sat Mar 23, 2019 2:28 pm
No new posts Other Announcements
Post-doctoral Position in Computational Heterogeneous Catalysis, Sandia National Laboratories, Livermore, California
— rodaz4167
 1 517 By: rodaz4167 >>
On: Thu Mar 14, 2019 5:11 am
No new posts Q-Chem specific questions
The derivative of dipole moment
— cesc2017
 0 509 By: cesc2017 >>
On: Thu Mar 14, 2019 2:41 am
No new posts About the forum
No regularization used (reg. param. = 0.0000e+00) in RIMP2 calculation
— suranjanpaul91
 0 749 By: suranjanpaul91 >>
On: Thu Feb 21, 2019 8:10 am
No new posts Q-Chem specific questions
Anharmonic IR intensities?
— jdevine
 1 1124 By: jdevine >>
On: Thu Feb 14, 2019 9:18 pm
No new posts Q-Chem specific questions
Decomposition of the Dyson orbitals over MOs
— dodikd
 1 1770 By: dodikd >>
On: Thu Jan 31, 2019 7:23 pm
No new posts Q-Chem specific questions
Error for EDA fragment calculation
— hezhu
 0 2345 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 2263 By: enka_letka >>
On: Mon Dec 10, 2018 3:51 pm
No new posts Community
hello everyone
— hismaimai8888
 1 3536 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 33203 By: Mukunda >>
On: Fri Nov 30, 2018 1:53 am
No new posts Q-Chem specific questions
Douglas-Kroll-Hess Transformation
— hismaimai7777
 0 2514 By: hismaimai7777 >>
On: Thu Nov 29, 2018 3:46 am
No new posts Q-Chem specific questions
Parallelisation in double hybrid DFT
— bobsyouruncle
 0 3010 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 6327 By: bmwong01 >>
On: Fri Nov 02, 2018 9:31 am
No new posts Q-Chem specific questions
XYG3 in QCHEM 5.1
— anajibi
 0 19283 By: anajibi >>
On: Thu Oct 11, 2018 11:45 pm
No new posts Q-Chem specific questions
cistr_print accuracy
— Rilah
 0 17809 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 21810 By: LauraGTN >>
On: Mon Sep 24, 2018 5:33 pm
No new posts Q-Chem specific questions
Transition Quadrupole Moment
— hismaimai2000
 0 17567 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 25512 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 27382 By: thehay95 >>
On: Fri Sep 14, 2018 8:40 am

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