☆ 4.6 Article

Software update: The ORCA program system-Version 5.0

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2022)

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Article Chemistry, Physical

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

F Weigend et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

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Article Chemistry, Physical

Short-range exchange and correlation energy density functionals: Beyond the local-density approximation

J Toulouse et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

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Article Chemistry, Multidisciplinary

An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix

F Neese

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

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Article Multidisciplinary Sciences

Escaping free-energy minima

A Laio et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)

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Article Chemistry, Physical

Fast evaluation of geometries and properties of excited molecules in solution: A Tamm-Dancoff model with application to 4-dimethylaminobenzonitrile

R Cammi et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)

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