| The ORCA quantum chemistry program package F Neese, F Wennmohs, U Becker, C Riplinger The Journal of Chemical Physics 152 (22), 224108, 2020 | 3387 | 2020 |
| 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 | 1789 | 2013 |
| 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 | 1687 | 2013 |
| 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 | 1006 | 2016 |
| 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 | 616 | 2018 |
| 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 | 389 | 2017 |
| 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 | 371 | 2014 |
| 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 | 287 | 2016 |
| 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 | 285 | 2015 |
| 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 | 255 | 2021 |
| 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 | 219 | 2018 |
| 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 | 219 | 2018 |
| 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 | 163 | 2017 |
| 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 | 153 | 2015 |
| 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 | 133 | 2009 |
| 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 | 132 | 2016 |
| 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 | 106 | 2012 |
| 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 | 85 | 2014 |
| Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD (T0/T)] Y Guo, C Riplinger, DG Liakos, U Becker, M Saitow, F Neese The Journal of Chemical Physics 152 (2), 024116, 2020 | 83 | 2020 |
| 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 | 74 | 2020 |
Frank NeeseMax Planck Institute für KohlenforschungBestätigte E-Mail-Adresse bei kofo.mpg.de
