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Chemistry (Weinheim an Der Bergstrasse, Germany)|October 21, 2003
Computational assessment of the electronic structure of 1-azacyclohexa-2,3,5-triene (3 delta 2-1H-pyridine) and its benzo derivative (3 delta 2-1H-quinoline) as well as generation and interception of 1-methyl-3 delta 2-1H-quinolineJan C Schöneboom, Stefan Groetsch, Manfred Christl, et al.Physical Chemistry Chemical Physics : PCCP|January 7, 2017
The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-, TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregatesDaniel Bellinger, Jens Pflaum, Christoph Brüning, et al.Angewandte Chemie (International Ed. in English)|June 27, 2019
Bond-Strengthening Backdonation in Aminoborylene-Stabilized Aminoborylenes: At the Intersection of Borylenes and DiborenesConor Pranckevicius, Christoph Herok, Felipe Fantuzzi, et al.The Journal of Chemical Physics|February 9, 2022
Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivalsPeter Schürger, Thomas Schaupp, Dustin Kaiser, et al.Physical Chemistry Chemical Physics : PCCP|June 26, 2012
The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theoryOlivia Oeltermann, Christian Brand, Bernd Engels, et al.Journal of the American Chemical Society|March 7, 2025
Boraporphyrins: Unlocking Global Aromaticity in Organoboron MacrocyclesLukas Swoboda, Jonas Klopf, Manuel Buckel, et al.Chemmedchem|October 27, 2006
The importance of the active site histidine for the activity of epoxide- or aziridine-based inhibitors of cysteine proteasesMilena Mladenovic, Tanja Schirmeister, Stefan Thiel, et al.Journal of Computational Chemistry|June 27, 2009
Predicting the tautomeric equilibrium of acetylacetone in solution. I. The right answer for the wrong reason?Sebastian Schlund, Eline M Basílio Janke, Klaus Weisz, et al.Physical Chemistry Chemical Physics : PCCP|June 8, 2019
A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic <sup>1</sup>A<sub>u</sub> stateMarco Flock, Lea Bosse, Dustin Kaiser, et al.The Journal of Organic Chemistry|January 28, 2006
Unsubstituted bicyclo[1.1.0]but-2-ylcarbinyl cationsT William Bentley, Bernd Engels, Thomas Hupp, et al.Pageof 17