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Dmitrij Rappoport

University of California, Irvine · US
Area of research
Atomic and Molecular Physics, and Optics · Electrical and Electronic Engineering
Research interest
Research interests include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Molecular Junctions and Nanostructures, and X-ray Diffraction in Crystallography.
h-index
27
citations
5,900
works
109
NIH funding
primary concept
email

Recent publications

TURBOMOLE: Today and Tomorrow
Journal of Chemical Theory and Computation 2023cited by 251position: middledoi
TURBOMOLE: Modular program suite for <i>ab initio</i> quantum-chemical and condensed-matter simulations
The Journal of Chemical Physics 2020cited by 1,128position: middledoi
Anomalously Rapid Tunneling: Charge Transport across Self-Assembled Monolayers of Oligo(ethylene glycol)
Journal of the American Chemical Society 2017cited by 54position: middledoi
Tunneling across SAMs Containing Oligophenyl Groups
The Journal of Physical Chemistry C 2016cited by 57position: middledoi
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-MP2 and RI-CC calculations
Physical Chemistry Chemical Physics 2014cited by 283position: lastdoi

Grants

Taking On the "Curse of Dimensionality" in Chemical Kinetics: Complex Chemical Reaction Prediction Using Manifold Learning
NSF2227112$418,6782022–2026PIRePORTER

Frequent collaborators

· 2 papers (2016–2017) · 2 papers (2016–2017)George M. Whitesides · Harvard University2 papers (2016–2017) · 2 papers (2016–2017)Alán Aspuru‐Guzik · University of Toronto2 papers (2016–2017) · 2 papers (2016–2017)Kung‐Ching Liao · Princeton University2 papers (2016–2017)Philipp Rothemund · Massachusetts Institute of Technology1 papers (2017–2017) · 1 papers (2014–2014) · 1 papers (2016–2016) · 1 papers (2016–2016)Yuan Li · National University of Singapore1 papers (2017–2017) · 1 papers (2017–2017) · 1 papers (2017–2017)