Chemistry
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Aug
  • Member for 8 years, 8 months
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I love this : Quantum Chemistry !

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Score Newest
question
38
DFT Functional Selection Criteria
Mar 14, 2015
question
28
How do quantum software packages Work?
Sep 23, 2014
question
20
How to calculate molecular dipole moment from a known wavefunction?
May 9, 2015
question
18
What is the relation between surface tension and initial molecular harmonic?
Apr 22, 2015
question
16
Are there any full worked examples of DFT calculations?
Jul 25, 2014
question
14
How to define custom force in quantum chemistry packages?
Apr 18, 2015
question
12
How to simulate chemical reactions in GAMESS?
Nov 25, 2014
question
12
What is the meaning of "no Hessian Eigenvalue "?
Feb 17, 2015
question
12
GAMESS and Gaussian : what is the maximum efficient number of supported nodes?
Mar 20, 2015
question
12
Why Acetone does not behave like its computational values?
May 11, 2015
Top network posts
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19
How do I choose component values when designing a Low/High pass RC filter?
13
Can I use differential I/O pins of FPGA as high speed comparator?
12
Which one is better as voltage divider: resistive, capacitive , low pass filter,...?
12
Why should we need DAC ICs?
12
How to fit a surface to 3D data in Mathematica?

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