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Goerigk, Lars
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ResearcherID: D-3717-2009
URL: http://www.researcherid.com/rid/D-3717-2009
Subject: Chemistry
Keywords: quantum chemistry; density functional theory; excited states; chiroptical properties; theoretical chemistry; computational chemistry
ORCID: http://orcid.org/0000-0003-3155-675X
My Institutions (more details)
Primary Institution:
Sub-org/Dept: School of Chemistry
Role:
Past Institutions: University of Sydney, School of Chemistry; Universität Münster
Description:
My URLs: goerigk.chemistry.unimelb.edu.au
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Effect of the Damping Function in Dispersion Corrected Density Functional Theory
 Author(s): Grimme, S; Ehrlich, S; Goerigk, L
 Source: Journal of Computational Chemistry Volume: 32 Issue: 7 Pages: 1456-1465 Published: 2011
 Times Cited: 2168
 DOI: 10.1002/jcc.21759
added
20-Apr-11
2.  Title: A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
 Author(s): Goerigk, L; Grimme, S
 Source: Physical Chemistry Chemical Physics Volume: 13 Issue: 14 Pages: 6670-6688 Published: 2011
 Times Cited: 663
 DOI: 10.1039/c0cp02984j
added
08-Apr-11
3.  Title: Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
 Author(s): Goerigk, L; Grimme, S
 Source: Journal of Chemical Theory and Computation Volume: 7 Issue: 2 Pages: 291-309 Published: FEB 2011
 Times Cited: 376
 DOI: 10.1021/ct100466k
added
08-Mar-11
4.  Title: The Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs Revisited
 Author(s): GRIMME, S; KRUSE, H; GOERIGK, L; et al.
 Source: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION Volume: 49 Issue: 8 Pages: 1402-1405 Published: 2010
 Times Cited: 218
 DOI: 10.1002/anie.200905484
added
16-Mar-10
5.  Title: A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density Functionals
 Author(s): Goerigk, Lars; Grimme, Stefan
 Source: Journal of Chemical Theory and Computation Volume: 6 Issue: 1 Pages: 107-126 Published: JAN 2010
 Times Cited: 201
 DOI: 10.1021/ct900489g
added
06-Oct-11
6.  Title: Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes
 Author(s): GOERIGK, L; GRIMME, S
 Source: Journal of Chemical Physics Volume: 132 Issue: 18 Published: MAY 14 2010
 Times Cited: 170
 DOI: 10.1063/1.3418614
added
04-Jun-10
7.  Title: Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non-Covalent Interactions
 Author(s): Goerigk, Lars; Kruse, Holger; Grimme, Stefan
 Source: Chemphyschem Volume: 12 Issue: 17 Pages: 3421-3433 Published: DEC 9 2011
 Times Cited: 151
 DOI: 10.1002/cphc.201100826
added
05-Jan-12
8.  Title: Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
 Author(s): GOERIGK, L; MOELLMANN, J; GRIMME, S
 Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 22 Pages: 4611-4620 Published: 2009
 Times Cited: 136
 DOI: 10.1039/b902315a
added
08-Dec-09
9.  Title: Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
 Author(s): Kruse, Holger; Goerigk, Lars; Grimme, Stefan
 Source: Journal of Organic Chemistry Volume: 77 Issue: 23 Pages: 10824-10834 Published: DEC 7 2012
 Times Cited: 98
 DOI: 10.1021/jo302156p
added
03-Jan-13
10.  Title: Spin-component-scaled electron correlation methods
 Author(s): Grimme, Stefan; Goerigk, Lars; Fink, Reinhold F.
 Source: Wiley Interdisciplinary Reviews-Computational Molecular Science Volume: 2 Issue: 6 Pages: 886-906 Published: NOV-DEC 2012
 Times Cited: 95
 DOI: 10.1002/wcms.1110
added
14-Nov-12
publication(s)  
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