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Matter Modeling
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Andrea's user avatar
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Andrea
  • Member for 3 years, 9 months
  • Last seen more than a month ago
  • Germany
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PostDoc @ University of Duisburg-Essen

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question
11
Is it possible to calculate the pka value of different H atoms on one molecule?
Aug 5, 2022
question
9
Energy cut-off value for conformer calculations
Dec 10, 2020
question
8
PES of Tetramethylthiuramdisulfid / Problem with Disulfidbridge
Apr 7, 2021
question
8
Simulation of electronic potential from nanoparticles interacting with molecules
Dec 10, 2020
question
7
ESP of molecule with charge
Feb 9, 2022
question
6
Unresolvable inconsistency between charge and multiplicity and orbital occupancies. Error while Distance Scan [closed]
Jan 5, 2021
question
6
Units of energy in Gaussian
Feb 2, 2021
question
5
How to alter the charge and multiplicity of a molecule in Gaussian?
Jan 12, 2022
question
5
Calculated Redoxpotential is too far away from experimental value
Jan 12, 2022
question
5
Calculation of pH dependence for small molecules
Aug 30, 2022
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Cumulative Thesis/Dissertation
5
Do I deserve to be acknowledged as the primary contributor to a publication derived from my student's thesis?