Engels B - Search Results

1

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 aggregates.

Bellinger D, Pflaum J, Brüning C, Engel V, Engels B. Bellinger D, et al. Among authors: engels b. Phys Chem Chem Phys. 2017 Jan 18;19(3):2434-2448. doi: 10.1039/c6cp07673d. Phys Chem Chem Phys. 2017. PMID: 28058427

2

An ab initio calculation of the anisotropic hyperfine coupling constants in the low-lying vibronic levels of the X 2Pi electronic state of CCCH.

Mladenović M, Perić M, Engels B. Mladenović M, et al. Among authors: engels b. J Chem Phys. 2004 Dec 22;121(24):12361-70. doi: 10.1063/1.1818680. J Chem Phys. 2004. PMID: 15606255

3

An ab initio study of the vibronic, spin-orbit, and magnetic hyperfine structure in the X2Pi electronic state of NCO.

Mladenović M, Perić M, Engels B. Mladenović M, et al. Among authors: engels b. J Chem Phys. 2005 Apr 8;122(14):144306. doi: 10.1063/1.1876072. J Chem Phys. 2005. PMID: 15847521

4

Exciton trapping in pi-conjugated materials: a quantum-chemistry-based protocol applied to perylene bisimide dye aggregates.

Fink RF, Seibt J, Engel V, Renz M, Kaupp M, Lochbrunner S, Zhao HM, Pfister J, Würthner F, Engels B. Fink RF, et al. Among authors: engels b. J Am Chem Soc. 2008 Oct 1;130(39):12858-9. doi: 10.1021/ja804331b. Epub 2008 Sep 4. J Am Chem Soc. 2008. PMID: 18767851

5

Paracyclophanes as model compounds for strongly interacting pi-systems. Part 1. Pseudo-ortho-dihydroxy[2.2]paracyclophane.

Schon C, Roth W, Fischer I, Pfister J, Kaiser C, Fink RF, Engels B. Schon C, et al. Among authors: engels b. Phys Chem Chem Phys. 2010 Aug 28;12(32):9339-46. doi: 10.1039/b925634b. Epub 2010 Jun 29. Phys Chem Chem Phys. 2010. PMID: 20589276

6

Paracyclophanes as model compounds for strongly interacting π-systems. Part 2: mono-hydroxy[2.2]paracyclophane.

Schon C, Roth W, Fischer I, Pfister J, Fink RF, Engels B. Schon C, et al. Among authors: engels b. Phys Chem Chem Phys. 2011 Jun 21;13(23):11076-82. doi: 10.1039/c0cp02841j. Epub 2011 May 12. Phys Chem Chem Phys. 2011. PMID: 21566818

7

Comparison of the electronic structure of different perylene-based dye-aggregates.

Settels V, Liu W, Pflaum J, Fink RF, Engels B. Settels V, et al. Among authors: engels b. J Comput Chem. 2012 Jul 5;33(18):1544-53. doi: 10.1002/jcc.22986. Epub 2012 Apr 19. J Comput Chem. 2012. PMID: 22514040

8

The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory.

Oeltermann O, Brand C, Engels B, Tatchen J, Schmitt M. Oeltermann O, et al. Among authors: engels b. Phys Chem Chem Phys. 2012 Aug 7;14(29):10266-70. doi: 10.1039/c2cp41094j. Epub 2012 Jun 22. Phys Chem Chem Phys. 2012. PMID: 22729279

9

The electronic structure of pyracene: a spectroscopic and computational study.

Auerswald J, Engels B, Fischer I, Gerbich T, Herterich J, Krueger A, Lang M, Schmitt HC, Schon C, Walter C. Auerswald J, et al. Among authors: engels b. Phys Chem Chem Phys. 2013 Jun 7;15(21):8151-61. doi: 10.1039/c3cp44271c. Epub 2013 Apr 19. Phys Chem Chem Phys. 2013. PMID: 23598438

10

Selig U, Nuernberger P, Dehm V, Settels V, Gsänger M, Engels B, Würthner F, Brixner T. Selig U, et al. Among authors: engels b. Chemphyschem. 2013 May 10;14(7):1413-22. doi: 10.1002/cphc.201300062. Epub 2013 Apr 19. Chemphyschem. 2013. PMID: 23606372

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