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user1420303

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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 journals writing writing-style 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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