Dmitrij Rappoport
Title
Cited by
Cited by
Year
Property-optimized Gaussian basis sets for molecular response calculations
D Rappoport, F Furche
The Journal of chemical physics 133 (13), 134105, 2010
10082010
{III}-density functional methods for excited states: Equilibrium structure and electronic spectra
F Furche, D Rappoport
Computational photochemistry 16, 93-128, 2005
351*2005
Photoinduced intramolecular charge transfer in 4-(Dimethyl) aminobenzonitrile− A Theoretical Perspective
D Rappoport, F Furche
Journal of the American Chemical Society 126 (4), 1277-1284, 2004
2432004
Computational photochemistry
M Olivucci
Elsevier, 2005
1762005
Analytical time-dependent density functional derivative methods within the RI- approximation, an approach to excited states of large molecules
D Rappoport, F Furche
The Journal of chemical physics 122 (6), 064105, 2005
1482005
Separation of electromagnetic and chemical contributions to surface-enhanced Raman spectra on nanoengineered plasmonic substrates
SK Saikin, Y Chu, D Rappoport, KB Crozier, A Aspuru-Guzik
The Journal of Physical Chemistry Letters 1 (18), 2740-2746, 2010
1162010
Computational inorganic and bioinorganic chemistry
EI Solomon, RA Scott, RB King
John Wiley & Sons, 2013
1082013
On the chemical bonding effects in the Raman response: Benzenethiol adsorbed on silver clusters
SK Saikin, R Olivares-Amaya, D Rappoport, M Stopa, A Aspuru-Guzik
Physical chemistry chemical physics 11 (41), 9401-9411, 2009
1032009
Complex chemical reaction networks from heuristics-aided quantum chemistry
D Rappoport, CJ Galvin, DY Zubarev, A Aspuru-Guzik
Journal of chemical theory and computation 10 (3), 897-907, 2014
792014
Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory
D Rappoport, F Furche
The Journal of chemical physics 126 (20), 201104, 2007
792007
Iron: inorganic & coordination chemistry
J Burgess, MV Twigg
Encyclopedia of Inorganic Chemistry, 2006
71*2006
Approximate density functionals: which should I choose?
D Rappoport, NRM Crawford, F Furche, K Burke
Encyclopedia of Inorganic and Bioinorganic Chemistry, 2011
572011
The binding of benzoarylsulfonamide ligands to human carbonic anhydrase is insensitive to formal fluorination of the ligand
MR Lockett, H Lange, B Breiten, A Heroux, W Sherman, D Rappoport, ...
Angewandte Chemie 125 (30), 7868-7871, 2013
552013
Development of new auxiliary basis functions of the Karlsruhe segmented contracted basis sets including diffuse basis functions (def2-SVPD, def2-TZVPPD, and def2-QVPPD) for RI …
A Hellweg, D Rappoport
Physical Chemistry Chemical Physics 17 (2), 1010-1017, 2015
492015
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 184107, 2020
452020
TURBOMOLE, version 6.0/6.3
R Ahlrichs, F Furche, C Hättig
Universität Karlsruhe, 2009
422009
Quantum chemical approach to estimating the thermodynamics of metabolic reactions
A Jinich, D Rappoport, I Dunn, B Sanchez-Lengeling, R Olivares-Amaya, ...
Scientific reports 4 (1), 1-6, 2014
402014
Uncertainty of prebiotic scenarios: the case of the non-enzymatic reverse tricarboxylic acid cycle
DY Zubarev, D Rappoport, A Aspuru-Guzik
Scientific reports 5, 8009, 2015
392015
Synthesis and Stereochemical Properties of Chiral Square Complexes of Iron(II)
T Bark, A von Zelewsky, D Rappoport, M Neuburger, S Schaffner, ...
Chemistry–A European Journal 10 (19), 4839-4845, 2004
352004
TURBOMOLE (v. 5.6)
R Ahlrichs, MK Armbruster, M Bär, HP Baron, R Bauernschmitt, ...
Universität Karlsruhe, Karlsruhe, Germany, 2003
352003
The system can't perform the operation now. Try again later.
Articles 1–20