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mrnicegyu11

Germany

http://drb.sexy

Working in compuational chemistry. Coder (mainly C++). Demoscener. Audiophile. Working on my own synthesizer suite.

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Top Questions

Restricted open-shell versus unrestricted methods for open shell systems

quantum-chemistry theoretical-chemistry asked Jun 19, 2017 at 10:43

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Is it reasonable to use natural orbitals of an unrestricted HF calculation as a basis to start a CASSCF calculation for a radical

quantum-chemistry computational-chemistry theoretical-chemistry asked Mar 6, 2017 at 12:37

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Conversion of Hessian from internal coordinates to cartesian coordinates

computational-chemistry software asked Jun 2, 2017 at 11:03

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How can I reach the two minima connected by a first-order saddle point (transition state) using the Gaussian Software

quantum-chemistry computational-chemistry theoretical-chemistry asked Mar 11, 2017 at 15:47

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Top Answers

Why Gaussian soft (STO-3G) causes error for Helium anion?

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