Christoph Riplinger
Christoph Riplinger
FAccTs GmbH
Verified email at faccts.de - Homepage
TitleCited byYear
An efficient and near linear scaling pair natural orbital based local coupled cluster method
C Riplinger, F Neese
The Journal of chemical physics 138 (3), 034106, 2013
5372013
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
C Riplinger, B Sandhoefer, A Hansen, F Neese
The Journal of chemical physics 139 (13), 134101, 2013
5262013
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
C Riplinger, P Pinski, U Becker, EF Valeev, F Neese
The Journal of Chemical Physics 144 (2), 024109, 2016
2402016
Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide
C Riplinger, MD Sampson, AM Ritzmann, CP Kubiak, EA Carter
Journal of the American Chemical Society 136 (46), 16285-16298, 2014
1642014
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate …
P Pinski, C Riplinger, EF Valeev, F Neese
The Journal of chemical physics 143 (3), 034108, 2015
1132015
Interaction of Radical Pairs Through-Bond and Through-Space: Scope and Limitations of the Point− Dipole Approximation in Electron Paramagnetic Resonance Spectroscopy
C Riplinger, JPY Kao, GM Rosen, V Kathirvelu, GR Eaton, SS Eaton, ...
Journal of the American Chemical Society 131 (29), 10092-10106, 2009
892009
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
M Saitow, U Becker, C Riplinger, EF Valeev, F Neese
The Journal of Chemical Physics 146 (16), 164105, 2017
812017
Electronic Structure Analysis of the Oxygen‐Activation Mechanism by FeII‐ and α‐Ketoglutarate (αKG)‐Dependent Dioxygenases
S Ye, C Riplinger, A Hansen, C Krebs, JM Bollinger Jr, F Neese
Chemistry–A European Journal 18 (21), 6555-6567, 2012
672012
Influence of Weak Brønsted Acids on Electrocatalytic CO2 Reduction by Manganese and Rhenium Bipyridine Catalysts
C Riplinger, EA Carter
ACS Catalysis 5, 900–908, 2015
642015
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework
WB Schneider, G Bistoni, M Sparta, M Saitow, C Riplinger, AA Auer, ...
Journal of Chemical Theory and Computation 12 (10), 4778-4792, 2016
582016
Spectroscopic and theoretical study of a mononuclear manganese (III) complex exhibiting a tetragonally compressed geometry
Q Scheifele, C Riplinger, F Neese, H Weihe, AL Barra, F Juranyi, ...
Inorganic chemistry 47 (2), 439-447, 2008
562008
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals
F Pavošević, P Pinski, C Riplinger, F Neese, EF Valeev
The Journal of Chemical Physics 144 (14), 144109, 2016
532016
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method …
Y Guo, C Riplinger, U Becker, DG Liakos, Y Minenkov, L Cavallo, ...
The Journal of chemical physics 148 (1), 011101, 2018
472018
SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals
F Pavošević, C Peng, P Pinski, C Riplinger, F Neese, EF Valeev
The Journal of Chemical Physics 146 (17), 174108, 2017
472017
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster Study
M Sparta, C Riplinger, F Neese
Journal of Chemical Theory and Computation 10 (3), 1099-1108, 2014
402014
ENDOR spectroscopy and DFT calculations: Evidence for the hydrogen-bond network within α2 in the PCET of E. coli ribonucleotide reductase
T Argirević, C Riplinger, JA Stubbe, F Neese, M Bennati
Journal of the American Chemical Society 134 (42), 17661-17670, 2012
382012
Revisiting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculations
M Radoul, M Sundararajan, A Potapov, C Riplinger, F Neese, D Goldfarb
Physical Chemistry Chemical Physics 12 (26), 7276-7289, 2010
332010
Direct detection and characterization of chloride in the active site of the low-pH form of sulfite oxidase using electron spin echo envelope modulation spectroscopy, isotopic …
EL Klein, AV Astashkin, D Ganyushin, C Riplinger, K Johnson-Winters, ...
Inorganic chemistry 48 (11), 4743-4752, 2009
332009
Observation of Surface-Bound Negatively Charged Hydride and Hydroxide on GaP (110) in H2O Environments
CX Kronawitter, M Lessio, P Zhao, C Riplinger, A Boscoboinik, DE Starr, ...
The Journal of Physical Chemistry C 119 (31), 17762-17772, 2015
282015
The reaction mechanism of cytochrome P450 NO reductase: a detailed quantum mechanics/molecular mechanics study
C Riplinger, F Neese
ChemPhysChem 12 (17), 3192-3203, 2011
272011
The system can't perform the operation now. Try again later.
Articles 1–20