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Post doc position at Department of Physics Sapienza University of Rome
— stefano_lupi
 0 13 By: stefano_lupi >>
On: Mon Jul 16, 2018 1:47 pm
No new posts Q-Chem specific questions
Splitting up a frequency calculation
— mrb289
 3 364 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
 1 338 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
 4 602 By: rymac >>
On: Fri Jun 29, 2018 4:53 pm
No new posts Technical questions
Real Time TDDFT spectra
— emanuele
 0 252 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
 1 460 By: pavel >>
On: Sun Jun 24, 2018 7:33 am
No new posts Q-Chem specific questions
ESP of the transition density
— lwmod
 1 4574 By: pavel >>
On: Tue May 22, 2018 4:40 pm
No new posts Q-Chem specific questions
overlap
— waldner
 1 1160 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 2279 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 2927 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
 0 443 By: sivasudhan >>
On: Tue May 15, 2018 4:28 am
No new posts Q-Chem specific questions
ADC(2) transition densites
— spneville
 0 506 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 23722 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 4253 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 4099 By: lonelygleaner >>
On: Thu Mar 29, 2018 4:07 pm
No new posts Q-Chem specific questions
Plotting Dyson Orbitals in IQMol
— bounty
 3 5650 By: sgozem >>
On: Tue Mar 27, 2018 11:16 pm
No new posts Technical questions
CCSD(T)/cc-pCVDZ
— suranjanpaul91
 1 6022 By: pavel >>
On: Sun Mar 25, 2018 9:35 am
No new posts Q-Chem specific questions
Order of d,f,g orbitals
— bikash
 2 4899 By: bikash >>
On: Thu Mar 15, 2018 8:08 pm
No new posts Community
Famous quantum mechanics quotes, anyone?
Page: 1 2
— krylov
 34 319553 By: BrianReed >>
On: Thu Mar 15, 2018 6:14 am
No new posts Other Announcements
postdoc position in U of South Carolina
— garashchuk
 0 5091 By: garashchuk >>
On: Tue Mar 06, 2018 5:49 pm
No new posts Conferences, Workshops and Summer Schools
IMAMPC-2018, Berlin - four weeks before registration closes
— jct
 0 5835 By: jct >>
On: Sun Mar 04, 2018 7:13 pm
No new posts Q-Chem specific questions
Overlap matrix
— wnarvaez
 1 27495 By: ericb >>
On: Thu Mar 01, 2018 10:06 pm
No new posts Q-Chem specific questions
Performance of EDA of single bonds within KS DFT
— Q_ac
 0 5181 By: Q_ac >>
On: Tue Feb 20, 2018 7:00 pm
No new posts Q-Chem specific questions
binding energy dimer
— Axel Pell
 0 5432 By: Axel Pell >>
On: Wed Feb 07, 2018 1:01 pm
No new posts Other Announcements
TWO YEARS POSTDOCTORAL POSITION at UAM (Madrid, Spain)
— XCHEM
 0 6892 By: XCHEM >>
On: Tue Jan 30, 2018 3:10 pm

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