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Top Questions
19
votes
Should I buy a CPU or a GPU for doing calculations?
high-performance-computing
graphical-processing-unit
asked May 18 '20 at 20:46
mattermodeling.stackexchange.com
12
votes
Is it good practise to mix double and triple zeta basis sets?
computational-chemistry
theoretical-chemistry
basis-set
asked Aug 22 '19 at 0:36
chemistry.stackexchange.com
10
votes
What are the advantages of multipole expansion of potentials?
electrostatics
multipole-expansion
asked Dec 14 '15 at 18:57
physics.stackexchange.com
10
votes
Publishing software in a convenient way
software
online-publication
code
asked Nov 28 '16 at 17:49
academia.stackexchange.com
6
votes
Updating sci-hub manuscript version
journals
sci-hub
asked Jun 30 '19 at 23:47
academia.stackexchange.com
6
votes
Mann-Whitney U test and paired data
wilcoxon-mann-whitney
paired-data
wilcoxon-signed-rank
asked Feb 19 '15 at 22:16
stats.stackexchange.com
5
votes
How to improve chances of acceptance of a paper with an atypical structure?
publications
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writing
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chemistry
asked Nov 19 '15 at 16:23
academia.stackexchange.com
Top Answers
12
DFT Functional Selection Criteria
chemistry.stackexchange.com
10
Why are correlation consistent basis sets used with DFT calculations?
chemistry.stackexchange.com
9
What is the reason for including excited states in the wave function in post-Hartree Fock methods?
chemistry.stackexchange.com
7
What is the meaning of “no Hessian Eigenvalue ”?
chemistry.stackexchange.com
7
What to do with (large) imaginary frequencies for constrained minimum structures?
chemistry.stackexchange.com
6
How can a protein folding transition state have zero lifetime?
chemistry.stackexchange.com
6
Why there are nodes in orbital?
chemistry.stackexchange.com
5
Pressure of carbon dioxide due to two simultaneous equilibriums
chemistry.stackexchange.com
5
References for Transition State Theory and Quantum Transtion State Theory
chemistry.stackexchange.com
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