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Christoph Riplinger
Christoph Riplinger
FAccTs GmbH
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Title
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Cited by
Year
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
11892013
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
11462013
The ORCA quantum chemistry program package
F Neese, F Wennmohs, U Becker, C Riplinger
The Journal of Chemical Physics 152 (22), 224108, 2020
7352020
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
6432016
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
3112018
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
2942014
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
2532017
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
2082015
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
1962016
NAMD goes quantum: an integrative suite for hybrid simulations
MCR Melo, RC Bernardi, T Rudack, M Scheurer, C Riplinger, JC Phillips, ...
Nature methods 15 (5), 351-354, 2018
1242018
NAMD goes quantum: an integrative suite for hybrid simulations
MCR Melo, RC Bernardi, T Rudack, M Scheurer, C Riplinger, JC Phillips, ...
Nature methods 15 (5), 351-354, 2018
1242018
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
1212015
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
1092009
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
1042017
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
962012
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
852016
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
632008
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
602014
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
512012
A near-linear scaling equation of motion coupled cluster method for ionized states
AK Dutta, M Saitow, C Riplinger, F Neese, R Izsák
The Journal of Chemical Physics 148 (24), 244101, 2018
432018
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