Discover open access scientific publications

Search, annotate, share and cite publications

Publications by Frank Neese

Chemical Applications Carried Out by Local Pair Natural Orbital Based Coupled-Cluster Methods

Chemical Society Reviews
Chemistry
2014English

ENDOR Spectroscopy and DFT Calculations: Evidence for the Hydrogen-Bond Network Within Α2 in the PCET of E. Coli Ribonucleotide Reductase

Journal of the American Chemical Society
BiochemistryColloidCatalysisChemistrySurface Chemistry
2012English

High-Level Spectroscopy, Quantum Chemistry, and Catalysis: Not Just a Passing Fad

Angewandte Chemie - International Edition
CatalysisChemistry
2017English

Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-Of-The-Box Approach

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2019English

What IS Inorganic Chemistry?

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2019English

Multireference Ab Initio Calculations Ofgtensors for Trinuclear Copper Clusters in Multicopper Oxidases

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- And Open-Shell Systems

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Front Cover: New Boron(III) Blue Emitters for All-Solution Processed OLEDs: Molecular Design Assisted by Theoretical Modeling (Eur. J. Inorg. Chem. /2019)

European Journal of Inorganic Chemistry
Inorganic Chemistry
2019English

Front Cover: Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering (Eur. J. Inorg. Chem. /2019)

European Journal of Inorganic Chemistry
Inorganic Chemistry
2019English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2025 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy