Chemistry
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user1420303
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All Questions Answers
Score Newest
answer
13
DFT Functional Selection Criteria
Mar 14, 2015
question
12
Is it good practise to mix double and triple zeta basis sets?
Aug 22, 2019
answer
10
Why are correlation consistent basis sets used with DFT calculations?
Jun 30, 2016
answer
9
What is the reason for including excited states in the wave function in post-Hartree Fock methods?
Feb 22, 2015
answer
9
How can a protein folding transition state have zero lifetime?
Mar 10, 2015
answer
7
What is the meaning of "no Hessian Eigenvalue "?
Feb 20, 2015
answer
7
What to do with (large) imaginary frequencies for constrained minimum structures?
Apr 28, 2018
answer
6
Why there are nodes in orbital?
Aug 24, 2016
answer
5
Gibbs Free Energy
Feb 20, 2015
answer
5
References for Transition State Theory and Quantum Transtion State Theory
May 13, 2016
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19
Should I buy a CPU or a GPU for doing calculations?
12
What are the advantages of multipole expansion of potentials?
11
Publishing software in a convenient way
8
Updating sci-hub manuscript version
7
Probability that a device turns off in n seconds

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