iOpenShell » Active Topics

Forum Topic Replies Views Latest Post
No new posts Other Announcements
How Field Engineer Came into Existence
— umaprasad
 0 45 By: umaprasad >>
On: Wed Apr 18, 2018 9:09 am
No new posts Other Announcements
Exciting Career Path in Freelance Engineer Jobs
— durga
 0 44 By: durga >>
On: Wed Apr 18, 2018 8:27 am
No new posts Q-Chem specific questions
MPI and OpenMP not using multiple nodes
— dahvyd
 1 20627 By: rangsiman >>
On: Wed Apr 18, 2018 3:31 am
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
 0 32 By: rt401 >>
On: Tue Apr 17, 2018 10:35 pm
No new posts Q-Chem specific questions
A quick question about GDIIS optimization algorithm
— belladaisy2018
 1 376 By: belladaisy2018 >>
On: Wed Apr 11, 2018 2:18 am
No new posts Q-Chem specific questions
How to implement correct EDA for diradical species with DFT
— chf42
 0 622 By: chf42 >>
On: Mon Apr 02, 2018 4:23 pm
No new posts Q-Chem specific questions
Print out coupled cluster density matrix
— lonelygleaner
 0 659 By: lonelygleaner >>
On: Thu Mar 29, 2018 4:07 pm
No new posts Q-Chem specific questions
Plotting Dyson Orbitals in IQMol
— bounty
 3 1430 By: sgozem >>
On: Tue Mar 27, 2018 11:16 pm
No new posts Technical questions
CCSD(T)/cc-pCVDZ
— suranjanpaul91
 1 1208 By: pavel >>
On: Sun Mar 25, 2018 9:35 am
No new posts Q-Chem specific questions
ESP of the transition density
— lwmod
 0 972 By: lwmod >>
On: Thu Mar 22, 2018 9:44 am
No new posts Q-Chem specific questions
Order of d,f,g orbitals
— bikash
 2 1129 By: bikash >>
On: Thu Mar 15, 2018 8:08 pm
No new posts Community
Famous quantum mechanics quotes, anyone?
Page: 1 2
— krylov
 34 273563 By: BrianReed >>
On: Thu Mar 15, 2018 6:14 am
No new posts Other Announcements
postdoc position in U of South Carolina
— garashchuk
 0 1217 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 1419 By: jct >>
On: Sun Mar 04, 2018 7:13 pm
No new posts Q-Chem specific questions
Overlap matrix
— wnarvaez
 1 23490 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 1646 By: Q_ac >>
On: Tue Feb 20, 2018 7:00 pm
No new posts Q-Chem specific questions
binding energy dimer
— Axel Pell
 0 2053 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 3406 By: XCHEM >>
On: Tue Jan 30, 2018 3:10 pm
No new posts Q-Chem specific questions
How to specify ECPs for BASIS2 basis?
— laura
 1 6545 By: pavel >>
On: Fri Jan 19, 2018 12:03 pm
No new posts Q-Chem specific questions
Excitation energy is negative when using EOM-EE-CCSD?
— laura
 1 5375 By: pavel >>
On: Fri Jan 19, 2018 11:48 am
No new posts Q-Chem specific questions
Geometry Optimization with Constraints
— gpw501
 2 22104 By: atanuach >>
On: Thu Dec 21, 2017 11:25 pm
No new posts Q-Chem specific questions
SRC2 XC-functional
— sthomas
 0 15844 By: sthomas >>
On: Thu Dec 07, 2017 10:26 pm
No new posts Electronic Structure and Quantum Chemistry
EOM-IP-CCSD in g09?
— cmjohns6
 1 27571 By: Lamina >>
On: Wed Nov 29, 2017 5:31 am
No new posts Q-Chem specific questions
Multipole field
— chemist
 0 18440 By: chemist >>
On: Tue Nov 28, 2017 10:50 pm
No new posts Community
The Vega Science Trust
— krylov
 1 27723 By: Derrickjon >>
On: Mon Nov 20, 2017 4:49 am

iOpenShell » Active Topics