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The Journal of Chemical Physics|November 3, 2018
Rigorous use of symmetry within the construction of multidimensional potential energy surfacesBenjamin Ziegler, Guntram RauhutSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|April 4, 2013
Towards black-box calculations of tunneling splittings obtained from vibrational structure methods based on normal coordinatesMichael Neff, Guntram RauhutThe Journal of Chemical Physics|March 24, 2016
Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansionsBenjamin Ziegler, Guntram RauhutThe Journal of Physical Chemistry. A|February 24, 2006
Double proton transfer reactions with plateau-like transition state regions: pyrazole-trifluoroacetic acid clustersStefan Schweiger, Guntram RauhutChemistry (Weinheim an Der Bergstrasse, Germany)|February 22, 2002
Computational studies on 3-aza-Cope rearrangements: protonation-induced switch of mechanism in the reaction of vinylpropargylamineRainer F Winter, Guntram RauhutPhysical Chemistry Chemical Physics : PCCP|March 30, 2011
Explicitly correlated coupled cluster calculations for the propargyl cation (H2C3H+) and related speciesPeter Botschwina, Rainer Oswald, Guntram RauhutThe Journal of Chemical Physics|April 2, 2022
Efficient and automated quantum chemical calculation of rovibrational nonresonant Raman spectraSebastian Erfort, Martin Tschöpe, Guntram RauhutThe Journal of Physical Chemistry. A|January 22, 2021
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of AlleneTina Mathea, Taras Petrenko, Guntram RauhutThe Journal of Chemical Physics|September 1, 2006
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculationsGuntram Rauhut, Vincenzo Barone, Peter SchwerdtfegerThe Journal of Chemical Physics|September 17, 2016
Tensor decomposition in potential energy surface representationsLukas Ostrowski, Benjamin Ziegler, Guntram RauhutPageof 21