Seguir
Caroline M. Krauter
Caroline M. Krauter
Senior Scientist, Schrödinger GmbH
Dirección de correo verificada de schrodinger.com
Título
Citado por
Citado por
Año
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
30202015
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
6412021
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
4672016
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
3612016
A new insight into gold (I)‐catalyzed hydration of alkynes: proton transfer
CM Krauter, ASK Hashmi, M Pernpointner
ChemCatChem 2 (10), 1226-1230, 2010
2092010
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
1932014
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
922017
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
682013
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
672009
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
632009
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
622018
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
602013
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
512015
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
422015
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
412014
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
302017
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
192015
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
122017
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
112016
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
102021
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20