Concepedia

Martin Kaupp

MK

Statistics

Publications

319

Citations

19.7K

H-Index

74

Active since

1990

Affiliations

Technische Universität Berlin(Current)

University of Würzburg

Slovak Academy of Sciences

Institute of Inorganic Chemistry of the Slovak Academy of Sciences

Max Planck Institute for Solid State Research

Martin Kaupp is an author at Technische Universität Berlin specializing in natural sciences, chemistry, and physics.

ORCID

Publications per year

1990–2025

319

Publications

319

TURBOMOLE: Modular program suite for <i>ab initio</i> quantum-chemical and condensed-matter simulations

Sree Ganesh Balasubramani, Guo P. Chen, Sonia Coriani et al. · The Journal of Chemical Physics · 2020 · 1.2K citations · Full text

, , +17

Pseudopotential approaches to Ca, Sr, and Ba hydrides. Why are some alkaline earth MX2 compounds bent?

Martin Kaupp, Paul von Ragué Schleyer, Hermann Stoll · The Journal of Chemical Physics · 1991 · 611 citations

, , +17

How Do Spin-Orbit-Induced Heavy-Atom Effects on NMR Chemical Shifts Function? Validation of a Simple Analogy to Spin-Spin Coupling by Density Functional Theory (DFT) Calculations on Some Iodo Compounds

Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin et al. · Chemistry - A European Journal · 1998 · 350 citations

, , +15

Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates

Reinhold F. Fink, Joachim Seibt, Volker Engel et al. · Journal of the American Chemical Society · 2008 · 319 citations

, , +15

A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes

Markéta Munzarová, Martin Kaupp · The Journal of Physical Chemistry A · 1999 · 290 citations

, , +17

1–5 of 319