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Physical Chemistry

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Theoretical and Computational Chemistry

(3)

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Working Paper

(3)

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Over 3 years

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Keywords

Semiempirical

Authors

3 results in Keywords: Semiempirical

Theoretical and Computational Chemistry

A New Release of MOPAC Incorporating the INDO/S Semiempirical Model with CI Excited States

Rebecca Gieseking

Version 1 posted 13 July 2020

779

Downloads

Theoretical and Computational Chemistry

Assessing Conformer Energies using Electronic Structure and Machine Learning Methods

Dakota Folmsbee, Geoffrey Hutchison

Version 2 posted 18 May 2020

1,306

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1

Citations

Theoretical and Computational Chemistry

A Robust Non-Self-Consistent Tight-Binding Quantum Chemistry Method for large Molecules

Philipp Pracht, Eike Caldeweyher, Sebastian Ehlert, Stefan Grimme

Version 1 posted 27 June 2019

3,532

Downloads

75

Citations