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Matter Modeling
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leeman
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Top posts

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12
Why the wavefunction phases change under different environments?
Dec 27, 2024
answer
6
Software recommendation for drawing these atomic structures?
Jul 16, 2024
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6
Do oscillator strengths matter when matching theoretical and experimental outcomes?
Jul 18, 2024
answer
5
What is the best exchange correlation functional to use on CO2?
Mar 2
answer
5
Gaussian 16 input error when using the Gen option, and when using geom=allcheck
Nov 1, 2024
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5
Calculation of dipole moment from gaussian
Jul 2, 2024
answer
5
Why am I getting wrong information about basis functions on running gaussian calculation using the 6-31G basis set for the krypton atom?
Jul 4, 2024
answer
5
Studying weak interactions in PySCF
Nov 25
answer
4
Can I capture warning messages into a log file during executing pybel?
Jun 23
answer
4
Fluorescence solvated band shape in Gaussian16
Jul 10, 2024

Top network posts

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34
Is there a maximum distance from a planet that a moon can orbit?
24
How do I remove 'None' items from the end of a list in Python
11
Is there a plane of symmetry in [Ma3b2c]?