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Frank Neese | Researchclopedia

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Frank Neese

Max Planck Society ORCID

977

Works

107,604

Citations

141

h-index

608

i10-index

Research Topics

Magnetism in coordination complexes Advanced Chemical Physics Studies Metal-Catalyzed Oxygenation Mechanisms

Affiliations

University of Stuttgart2005–2005

Karlsruhe Institute of Technology2013–2020

TH Köln - University of Applied Sciences2023–2025

University of Vermont2007–2007

University of East Anglia1996–1996

Top Works

The ORCA program system

201112,661 citations

X-ray Diffraction in Crystallography

Crystallization and Solubility Studies

Software update: the ORCA program system, version 4.0

20175,664 citations

The ORCA quantum chemistry program package

Frank Neese,Frank Wennmohs,et al.

20204,743 citations

Software update: The <scp>ORCA</scp> program system—Version 5.0

20224,196 citations

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Frank Neese,Frank Wennmohs,et al.

20082,899 citations

An efficient and near linear scaling pair natural orbital based local coupled cluster method

Christoph Riplinger,Frank Neese

20131,913 citations

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Christoph Riplinger,Barbara Sandhoefer,et al.

20131,855 citations

Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes

Edward I. Solomon,Thomas C. Brunold,et al.

19991,694 citations

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

Dimitrios A. Pantazis,Xian-Yang Chen,et al.

20081,345 citations