pentavalentcarbon

Member for 11 years, 4 months
Last seen more than a month ago

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Answers

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Score Activity Newest

25

How to calculate molecular dipole moment from a known wavefunction?

Sep 19, 2015

25

What are typical runtimes for CASSCF calculations?

Jul 5, 2016

19

Is dipole moment a vector?

May 18, 2017

17

What do these labels for molecular electronic states mean?

Sep 5, 2016

16

Python package for modelling chemical reactions

May 19, 2017

Questions

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19

Creating energy profile diagrams for publication

Jan 9, 2016

16

How are polarizabilities measured experimentally?

Feb 21, 2018

15

Is zero-point vibrational energy an intensive or extensive property?

May 16, 2017

13

Why does bond length decrease with increased basis set quality for SCF methods?

Mar 6, 2016

8

What is "physicist's water"?

Nov 17, 2017

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computational-chemistry

323

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quantum-chemistry

222

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29

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software

111

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19

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physical-chemistry

102

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17

posts

theoretical-chemistry

92

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11

posts

Reputation

+10

Differences between Liquid and Solid Infrared Spectrometry

+10

Can visible light or infrared radiation excite electrons?

+10

Which intermolecular interaction is dependent on the inverse cube of distance?

+10

How to calculate molecular dipole moment from a known wavefunction?

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