- Home
- Publications
- Publication Search
- Publication Details
Title
The ORCA program system
Authors
Keywords
-
Journal
Wiley Interdisciplinary Reviews-Computational Molecular Science
Volume 2, Issue 1, Pages 73-78
Publisher
Wiley
Online
2011-06-30
DOI
10.1002/wcms.81
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra
- (2010) Serena DeBeer George et al. INORGANIC CHEMISTRY
- A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin Hydrogenation
- (2010) Anakuthil Anoop et al. Journal of Chemical Theory and Computation
- Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method
- (2010) Simone Kossmann et al. Journal of Chemical Theory and Computation
- Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy
- (2010) Nicole Lee et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics
- (2009) Frank Neese et al. Journal of Chemical Theory and Computation
- Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
- (2008) Frank Neese et al. CHEMICAL PHYSICS
- Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals
- (2008) Michael Römelt et al. INORGANIC CHEMISTRY
- First-principles calculations of magnetic circular dichroism spectra
- (2008) Dmitry Ganyushin et al. JOURNAL OF CHEMICAL PHYSICS
- Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory
- (2008) Michael Bühl et al. Journal of Chemical Theory and Computation
- Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory†
- (2008) Serena DeBeer George et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A comparative study of single reference correlation methods of the coupled-pair type
- (2007) Frank Wennmohs et al. CHEMICAL PHYSICS
- Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
- (2007) Serena DeBeer George et al. INORGANICA CHIMICA ACTA
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation