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No new posts Q-Chem specific questions
Problem in generating ezDyson input
— chemistry
 0 2 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
 0 307 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
 1 397 By: rodaz4167 >>
On: Thu Mar 14, 2019 5:11 am
No new posts Q-Chem specific questions
The derivative of dipole moment
— cesc2017
 0 422 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
 0 636 By: suranjanpaul91 >>
On: Thu Feb 21, 2019 8:10 am
No new posts Q-Chem specific questions
Anharmonic IR intensities?
— jdevine
 1 977 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 1563 By: dodikd >>
On: Thu Jan 31, 2019 7:23 pm
No new posts Q-Chem specific questions
Error for EDA fragment calculation
— hezhu
 0 2127 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 2061 By: enka_letka >>
On: Mon Dec 10, 2018 3:51 pm
No new posts Community
hello everyone
— hismaimai8888
 1 3273 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 32591 By: Mukunda >>
On: Fri Nov 30, 2018 1:53 am
No new posts Q-Chem specific questions
Douglas-Kroll-Hess Transformation
— hismaimai7777
 0 2165 By: hismaimai7777 >>
On: Thu Nov 29, 2018 3:46 am
No new posts Q-Chem specific questions
Parallelisation in double hybrid DFT
— bobsyouruncle
 0 2828 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 6093 By: bmwong01 >>
On: Fri Nov 02, 2018 9:31 am
No new posts Q-Chem specific questions
XYG3 in QCHEM 5.1
— anajibi
 0 18627 By: anajibi >>
On: Thu Oct 11, 2018 11:45 pm
No new posts Q-Chem specific questions
cistr_print accuracy
— Rilah
 0 17495 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 21465 By: LauraGTN >>
On: Mon Sep 24, 2018 5:33 pm
No new posts Q-Chem specific questions
Transition Quadrupole Moment
— hismaimai2000
 0 17039 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 25172 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 27033 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 17534 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 18163 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 26261 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 22515 By: pavel >>
On: Mon Aug 13, 2018 10:15 am
No new posts About the forum
Sticky: Welcome!
— iopenshell
 20 224216 By: quantumchem >>
On: Mon Jul 30, 2018 11:18 am

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