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Matter Modeling
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danjodc
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Computational Chemist in Uppsala Uni

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5
Using "soft" constraints / bias in geometry optimization?
Nov 16, 2021
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5
Does QC convergence mode in Gaussian make a difference?
Nov 17, 2021
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3
How to calculate the individual atomic charge from a cube file of charge density?
Dec 9, 2022
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Is it necessary to give connectivity and charge of a molecule to start a Gaussian job?
Dec 9, 2022