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Theoretical and Computational Chemistry

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Explicit Correlation

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3 results in Keywords: Explicit Correlation

Theoretical and Computational Chemistry

Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga–Kr, In–Xe, and Tl–Rn

Version 1 posted 22 December 2023

72

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Theoretical and Computational Chemistry

A simple model for halogen bonds

Robert A. Shaw, Grant Hill

Version 1 posted 11 June 2018

906

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1

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Theoretical and Computational Chemistry

SVECV-f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers.

Oscar Ventura, Martina Kieninger, Aline Katz, Mauricio Vega-Teijido, Marc E. Segovia, Kenneth Irving

Version 2 posted 01 February 2021

648

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1

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