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Yoda

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103 votes

The overwhelming silence in shy classes

lecture-teaching-method asked Apr 5, 2016 at 15:33
academia.stackexchange.com

24 votes

Is sharing research progress and ideas on blog acceptable?

ethics outreach blog asked Jun 5, 2016 at 11:20
academia.stackexchange.com

16 votes

Classifying some molecular orbitals after Hartree-Fock calculation

computational-chemistry molecular-orbital-theory asked Oct 27, 2016 at 16:27
chemistry.stackexchange.com

15 votes

What to do with (large) imaginary frequencies for constrained minimum structures?

quantum-chemistry computational-chemistry density-functional-theory asked Apr 25, 2018 at 12:26
chemistry.stackexchange.com

15 votes

How many basis functions used in STO-3G and 6-31+G** for the water molecule?

computational-chemistry basis-set asked Nov 23, 2015 at 18:01
chemistry.stackexchange.com

15 votes

1D Infinite Square Well: Box Suddenly Increases in Size. How treat this?

quantum-mechanics homework-and-exercises wavefunction schroedinger-equation quantum-chemistry asked May 18, 2014 at 12:38
physics.stackexchange.com

15 votes

Is HF the only method for trying to solve the many-electron Schrödinger equation?

quantum-chemistry computational-chemistry asked May 4, 2016 at 15:31
chemistry.stackexchange.com

14 votes

Does the potential energy increase when temperature is raised?

physical-chemistry thermodynamics energy asked Dec 1, 2015 at 15:25
chemistry.stackexchange.com

13 votes

Rotation around CC bond in 1,2-dioxetane: transition states and local minimum structures

quantum-chemistry computational-chemistry asked Mar 13, 2016 at 10:04
chemistry.stackexchange.com

12 votes

How does optimizing the molecular orbital coefficients in CASSCF improve its multi-reference capabilties?

quantum-chemistry theoretical-chemistry ab-initio multi-reference asked May 13, 2017 at 10:53
chemistry.stackexchange.com

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