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Theoretical and Computational Chemistry

(4)

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(4)

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(2)

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(2)

Keywords

Gaussian basis sets

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4 results in Keywords: Gaussian basis sets

Theoretical and Computational Chemistry

Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost

Montgomery Gray, John Herbert

Version 2 posted 27 December 2021

1,014

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Theoretical and Computational Chemistry

Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy

Yannick J. Franzke

Version 1 posted 08 December 2022

261

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Theoretical and Computational Chemistry

Systematic Evaluation of Counterpoise Correction in Density Functional Theory

Montgomery Gray, Paige Bowling, John Herbert

Version 1 posted 26 August 2022

404

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Theoretical and Computational Chemistry

Property-Optimized Gaussian Basis Sets for Lanthanides

Dmitrij Rappoport

Version 2 posted 09 September 2021

1,124

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