| 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 | 537 | 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 | 526 | 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 | 240 | 2016 |
| 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 | 164 | 2014 |
| 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 | 113 | 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 | 89 | 2009 |
| 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 | 81 | 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 | 67 | 2012 |
| 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 | 64 | 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 | 58 | 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 | 56 | 2008 |
| 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 | 53 | 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 | 47 | 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 | 47 | 2017 |
| 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 | 40 | 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 | 38 | 2012 |
| 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 | 33 | 2010 |
| 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 | 33 | 2009 |
| 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 | 28 | 2015 |
| 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 | 27 | 2011 |
Frank NeeseMax Planck Institute für KohlenforschungVerified email at kofo.mpg.de