| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3029 | 2015 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 084801, 2021 | 647 | 2021 |
| Heterometallic antenna− reactor complexes for photocatalysis DF Swearer, H Zhao, L Zhou, C Zhang, H Robatjazi, JMP Martirez, ... Proceedings of the National Academy of Sciences 113 (32), 8916-8920, 2016 | 471 | 2016 |
| Aluminum Nanocrystals as a Plasmonic Photocatalyst for Hydrogen Dissociation L Zhou, C Zhang, MJ McClain, A Manjavacas, CM Krauter, S Tian, F Berg, ... Nano letters 16 (2), 1478-1484, 2016 | 361 | 2016 |
| A new insight into gold (I)‐catalyzed hydration of alkynes: proton transfer CM Krauter, ASK Hashmi, M Pernpointner ChemCatChem 2 (10), 1226-1230, 2010 | 209 | 2010 |
| Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator M Wormit, DR Rehn, PHP Harbach, J Wenzel, CM Krauter, E Epifanovsky, ... Molecular Physics 112 (5-6), 774-784, 2014 | 193 | 2014 |
| How to identify plasmons from the optical response of nanostructures R Zhang, L Bursi, JD Cox, Y Cui, CM Krauter, A Alabastri, A Manjavacas, ... ACS nano 11 (7), 7321-7335, 2017 | 92 | 2017 |
| Application of the scaled-opposite-spin approximation to algebraic diagrammatic construction schemes of second order CM Krauter, M Pernpointner, A Dreuw The Journal of chemical physics 138 (4), 044107, 2013 | 68 | 2013 |
| A Configurational Switch Based on Iridium‐Catalyzed Allylic Cyclization: Application in Asymmetric Total Syntheses of Prosopis, Dendrobate, and Spruce Alkaloids C Gnamm, K Brödner, CM Krauter, G Helmchen Chemistry-A European Journal 15 (40), 10514-10532, 2009 | 67 | 2009 |
| Stereoselective Synthesis of 2, 6‐Disubstituted Piperidines Using the Iridium‐Catalyzed Allylic Cyclization as Configurational Switch: Asymmetric Total Synthesis of (+)‐241 D … C Gnamm, CM Krauter, K Brödner, G Helmchen Chemistry-A European Journal 15 (9), 2050-2054, 2009 | 63 | 2009 |
| Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer LD Chen, M Bajdich, JMP Martirez, CM Krauter, JA Gauthier, EA Carter, ... Nature communications 9 (1), 1-8, 2018 | 62 | 2018 |
| Ultrafast branching in the excited state of coumarin and umbelliferone CM Krauter, J Möhring, T Buckup, M Pernpointner, M Motzkus Physical Chemistry Chemical Physics 15 (41), 17846-17861, 2013 | 60 | 2013 |
| Ab Initio Kinetics of Hydrogen Abstraction from Methyl Acetate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals T Tan, X Yang, CM Krauter, Y Ju, EA Carter The Journal of Physical Chemistry A 119 (24), 6377-6390, 2015 | 51 | 2015 |
| Identification of Plasmons in Molecules with Scaled Ab Initio Approaches CM Krauter, S Bernadotte, CR Jacob, M Pernpointner, A Dreuw The Journal of Physical Chemistry C 119 (43), 24564-24573, 2015 | 42 | 2015 |
| Plasmons in molecules: Microscopic characterization based on orbital transitions and momentum conservation CM Krauter, J Schirmer, CR Jacob, M Pernpointner, A Dreuw The Journal of chemical physics 141 (10), 104101, 2014 | 41 | 2014 |
| Density and potential functional embedding: Theory and practice K Yu, CM Krauter, JM Dieterich, EA Carter Fragmentation: Toward Accurate Calculations on Complex Molecular Systems, 81-111, 2017 | 30 | 2017 |
| Density fitting and Cholesky decomposition of the two-electron integrals in local multireference configuration interaction theory DB Krisiloff, CM Krauter, FJ Ricci, EA Carter Journal of chemical theory and computation 11 (11), 5242-5251, 2015 | 19 | 2015 |
| Algebraic diagrammatic construction for the polarization propagator with spin-orbit coupling CM Krauter, B Schimmelpfennig, M Pernpointner, A Dreuw Chemical Physics 482, 286-293, 2017 | 12 | 2017 |
| Corrigendum to: Plasmon-Driven Dissociation of H2 on Gold Nanoclusters F Libisch, CM Krauter, EA Carter Zeitschrift für Physikalische Chemie 230 (1), 131-132, 2016 | 11 | 2016 |
| Molecular-Level Examination of Amorphous Solid Dispersion Dissolution MA Faiz Afzal, K Lehmkemper, E Sobich, TF Hughes, DJ Giesen, T Zhang, ... Molecular Pharmaceutics 18 (11), 3999-4014, 2021 | 10 | 2021 |
