Lars Goerigk
Lars Goerigk
Senior Lecturer (tenured), MCTCC, School of Chemistry, The University of Melbourne
Verified email at unimelb.edu.au - Homepage
Title
Cited by
Cited by
Year
Effect of the damping function in dispersion corrected density functional theory
S Grimme, S Ehrlich, L Goerigk
Journal of computational chemistry 32 (7), 1456-1465, 2011
74092011
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
L Goerigk, S Grimme
Physical Chemistry Chemical Physics 13 (14), 6670-6688, 2011
12692011
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and†…
L Goerigk, S Grimme
Journal of Chemical Theory and Computation 7 (2), 291-309, 2010
7772010
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
L Goerigk, A Hansen, C Bauer, S Ehrlich, A Najibi, S Grimme
Physical Chemistry Chemical Physics 19 (48), 32184-32215, 2017
3862017
The mechanism of dihydrogen activation by frustrated Lewis pairs revisited
S Grimme, H Kruse, L Goerigk, G Erker
Angewandte Chemie International Edition 49 (8), 1402-1405, 2010
374*2010
A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions− Assessment of Common and Reparameterized (meta-) GGA Density Functionals
L Goerigk, S Grimme
Journal of Chemical Theory and Computation 6 (1), 107-126, 2009
3462009
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
L Goerigk, S Grimme
The Journal of Chemical Physics 132 (18), 184103, 2010
2822010
Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
H Kruse, L Goerigk, S Grimme
The Journal of organic chemistry 77 (23), 10824-10834, 2012
2552012
Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non‐Covalent Interactions
L Goerigk, H Kruse, S Grimme
ChemPhysChem 12 (17), 3421-3433, 2011
2532011
Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals
L Goerigk, J Moellmann, S Grimme
Physical Chemistry Chemical Physics 11 (22), 4611-4620, 2009
2122009
Double‐hybrid density functionals
L Goerigk, S Grimme
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (6), 576-600, 2014
1722014
Spin‐component‐scaled electron correlation methods
S Grimme, L Goerigk, RF Fink
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (6), 886-906, 2012
1602012
Calculation of electronic circular dichroism spectra with time-dependent double-hybrid density functional theory
L Goerigk, S Grimme
The Journal of Physical Chemistry A 113 (4), 767-776, 2009
1162009
Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS‐QB3 composite method and their consequences in DFT benchmark studies
A Karton, L Goerigk
Journal of computational chemistry 36 (9), 622-632, 2015
792015
Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory
DC Graham, AS Menon, L Goerigk, S Grimme, L Radom
The Journal of Physical Chemistry A 113 (36), 9861-9873, 2009
712009
How do DFT-DCP, DFT-NL, and DFT-D3 compare for the description of London-dispersion effects in conformers and general thermochemistry?
L Goerigk
Journal of Chemical Theory and Computation 10 (3), 968-980, 2014
642014
Double-Hybrid Density Functionals Provide a Balanced Description of Excited 1La and 1Lb States in Polycyclic Aromatic Hydrocarbons
L Goerigk, S Grimme
Journal of Chemical Theory and Computation 7 (10), 3272-3277, 2011
632011
Treating London-Dispersion Effects with the Latest Minnesota Density Functionals: Problems and Possible Solutions
L Goerigk
The Journal of Physical Chemistry Letters 6 (19), 3891-3896, 2015
572015
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
L Goerigk, A Karton, JML Martin, L Radom
Physical Chemistry Chemical Physics 15 (19), 7028-7031, 2013
562013
Efficient methods for the quantum chemical treatment of protein structures: the effects of London-dispersion and basis-set incompleteness on peptide and water-cluster geometries
L Goerigk, JR Reimers
Journal of Chemical Theory and Computation 9 (7), 3240-3251, 2013
552013
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