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Anharmonic IR intensities?
— jdevine
 1 40 By: jdevine >>
On: Thu Feb 14, 2019 9:18 pm
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Get In Touch With Bitcoin Support Team | Visit Here
— awilson1212
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On: Mon Feb 04, 2019 6:01 am
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Decomposition of the Dyson orbitals over MOs
— dodikd
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On: Thu Jan 31, 2019 7:23 pm
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About the CREATIVES in Hong Kong
— wiggylam
 0 323 By: wiggylam >>
On: Mon Jan 21, 2019 10:29 am
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Error for EDA fragment calculation
— hezhu
 0 604 By: hezhu >>
On: Mon Dec 24, 2018 2:18 pm
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Choose a guess run in a batch job
— enka_letka
 0 604 By: enka_letka >>
On: Mon Dec 10, 2018 3:51 pm
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hello everyone
— hismaimai8888
 1 1358 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 26436 By: Mukunda >>
On: Fri Nov 30, 2018 1:53 am
No new posts Q-Chem specific questions
Douglas-Kroll-Hess Transformation
— hismaimai7777
 0 731 By: hismaimai7777 >>
On: Thu Nov 29, 2018 3:46 am
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Parallelisation in double hybrid DFT
— bobsyouruncle
 0 1220 By: bobsyouruncle >>
On: Thu Nov 15, 2018 1:50 am
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Postdoc Position in Southern California in Computational Chemistry/Materials/Physics
— bmwong01
 0 3667 By: bmwong01 >>
On: Fri Nov 02, 2018 9:31 am
No new posts Q-Chem specific questions
XYG3 in QCHEM 5.1
— anajibi
 0 13605 By: anajibi >>
On: Thu Oct 11, 2018 11:45 pm
No new posts Q-Chem specific questions
cistr_print accuracy
— Rilah
 0 13672 By: Rilah >>
On: Mon Oct 01, 2018 2:42 pm
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Computational Chemist position at innovative and impactful biotech.
— LauraGTN
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On: Mon Sep 24, 2018 5:33 pm
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Transition Quadrupole Moment
— hismaimai2000
 0 13356 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 20008 By: kirby >>
On: Sat Sep 15, 2018 7:39 am
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Postdoctoral Vacancy_MD/ab initio MD(AIMD) with Python coding
— akbar256
 2 22106 By: thehay95 >>
On: Fri Sep 14, 2018 8:40 am
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Post-doctoral Position in Theoretical Gas-Phase Physical Chemistry, Sandia National Laboratories, Livermore, California
— rodaz4167
 0 14379 By: rodaz4167 >>
On: Mon Sep 10, 2018 5:15 pm
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Assistant Professor position in Computational Chemistry U of South Carolina
— sgarashc
 0 14930 By: sgarashc >>
On: Wed Sep 05, 2018 3:16 pm
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qchem compilation error - OpenBLAS linking error?
— hopefulp
 2 21626 By: hopefulp >>
On: Tue Aug 14, 2018 4:49 am
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EOM-CCSD and EOM-CCSD(t) energies same
— chemistry
 1 18636 By: pavel >>
On: Mon Aug 13, 2018 10:15 am
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Sticky: Welcome!
— iopenshell
 20 207494 By: quantumchem >>
On: Mon Jul 30, 2018 11:18 am
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about cdft input
— waldner
 0 17445 By: waldner >>
On: Tue Jul 24, 2018 5:00 am
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Post doc position at Department of Physics Sapienza University of Rome
— stefano_lupi
 0 16382 By: stefano_lupi >>
On: Mon Jul 16, 2018 1:47 pm
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Splitting up a frequency calculation
— mrb289
 3 22742 By: pavel >>
On: Tue Jul 10, 2018 7:16 am

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