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Christoph Riplinger
Christoph Riplinger
FAccTs GmbH
Verified email at faccts.de - Homepage
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The ORCA quantum chemistry program package
F Neese, F Wennmohs, U Becker, C Riplinger
The Journal of Chemical Physics 152 (22), 224108, 2020
22852020
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
15552013
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
14892013
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
8782016
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
4982018
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
3482014
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
3372017
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
2572016
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
2562015
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
1822018
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
1822018
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
1462017
Nudged elastic band method for molecular reactions using energy-weighted springs combined with eigenvector following
V Ásgeirsson, BO Birgisson, R Bjornsson, U Becker, F Neese, C Riplinger, ...
Journal of Chemical Theory and Computation 17 (8), 4929-4945, 2021
1432021
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
1432015
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
1242009
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
1232016
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
1072012
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
762014
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
652008
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics
BM Flöser, Y Guo, C Riplinger, F Tuczek, F Neese
Journal of Chemical Theory and Computation 16 (4), 2224-2235, 2020
642020
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