| 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 | 1106 | 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 | 1063 | 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 | 589 | 2016 |
| The ORCA quantum chemistry program package F Neese, F Wennmohs, U Becker, C Riplinger The Journal of Chemical Physics 152 (22), 224108, 2020 | 494 | 2020 |
| 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 | 280 | 2014 |
| 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 | 270 | 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 | 230 | 2017 |
| 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 | 199 | 2015 |
| 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 | 185 | 2016 |
| 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 | 119 | 2015 |
| 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 | 110 | 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 | 110 | 2018 |
| 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 | 108 | 2009 |
| 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 | 100 | 2017 |
| 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 | 95 | 2012 |
| 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 | 90 | 2016 |
| 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 | 62 | 2008 |
| 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 | 58 | 2014 |
| 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 | 49 | 2012 |
| 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 | 39 | 2015 |
Frank NeeseMax Planck Institute für KohlenforschungVerified email at kofo.mpg.de
