Publikationen 2005 - 2009

Michael Schmitt, Lars Biemann, W. Leo Meerts, Karl Kleinermanns:

Analysis of the FTIR spectrum of pyrazine using evolutionary algorithms.

J. Mol. Spectros. 257 (2009) 74

Ivo Kalkman, Christian Brand, Thi-Bao Chau Vu, W. Leo Meerts, Yuriy N. Svartsov, Otto Dopfer, Xin Tong, Klaus Müller Dethlefs, Stefan Grimme, Michael Schmitt:

The structure of phenol-Ar_n (n=1, 2) clusters in their S₀ and S₁ states.

J. Chem. Phys. 130 (2009) 224303

Ivo Kalkman, Thi-Bao Chau Vu, Michael Schmitt, W. Leo Meerts:

Structure and internal rotation in the S₀ and S₁ states of o-toluidine studied by high resolution UV spectroscopy.

Phys. Chem. Chem. Phys. 11 (2009) 4311

Thi Bao Chau Vu, Ivo Kalkman, W. Leo Meerts, Christian Brand, Yuriy N. Svartsov, Sascha Wiedemann, Rainer Weinkauf, Michael Schmitt:

The conformational landscape of 5-methoxytryptamine studied by rotationally resolved fluorescence spectroscopy and resonant ionization spectroscopy.

Phys. Chem. Chem. Phys. 11 (2009) 2433

Marcel Böhm, Jörg Tatchen, Daniel Krügler, Karl Kleinermanns, Michael G. D. Nix, Tracy A. LeGreve, Timothy S. Zwier, Michael Schmitt:

High-resolution and Dispersed Fluorescence Examination of Vibronic bands of Tryptamine: Spectroscopic signatures for L_a/L_b mixing near a conical intersection.

J. Phys. Chem. A 113 (2009) 2456

Marcel Böhm, Robert Brause, Christoph Jacoby, Michael Schmitt:

Conformational Relaxation Paths in Tryptamine.

J. Phys. Chem. A 113 (2009) 448

Michael Motsch, Markus Schenk, Martin Zeppenfeld, Michael Schmitt, W. Leo Meerts, Pepijn W.H. Pinkse, Gerhard Rempe:

Spectroscopy of the  ùA₂ ← X̃¹A₁ transition of formaldehyde in the 30140–30790 cm^-1 range: The 2¹₀ 4³₀ and 2²₀ 4¹₀ rovibrational bands.

J. Mol. Spectrosc. 252 (2008) 25

Ivo Kalkman, Thi Bao Chau Vu, Michael Schmitt, W. Leo Meerts:

Tunneling splittings in the S₀ and S₁ states of the benzoic acid dimer determined by high-resolution UV spectroscopy.

ChemPhysChem. 9 (2008) 1788

Thi Bao Chau Vu, Ivo Kalkman, W. Leo Meerts, Yuriy N. Svartsov, Christoph Jacoby, Michael Schmitt:

Rotationally resolved electronic spectroscopy of water clusters of 7-azaindole.

J. Chem. Phys. 128 (2008) 214311

Yuriy N. Svartsov, Michael Schmitt:

Electronically excited states of water clusters of 7-azaindole: Structures, relative energies, and electronic nature of the excited states.

J. Chem. Phys. 128 (2008) 214310

Robert Brause, Michael Schmitt, Karl Kleinermanns:

Improved Determination of Structural Changes of 2-Pyridone-(H₂O)₁ upon Electronic Excitation.

J. Phys. Chem. A. 111 (2007) 3287

Robert Brause, Monika Santa, Michael Schmitt, Karl Kleinermanns:

Determination of the Geometry Change of the Phenol Dimer upon Electronic Excitation.

ChemPhysChem 8 (2007) 1394

Böhm, M., Ratzer, C., Schmitt, M.:

The structure of p-chlorophenol and barrier to internal -OH rotation in the S₁-state.

J. Mol. Struc. 800 (2006) 55

Lee, Y., Kim, B., Schmitt, M., Kleinermanns, K.:

Observation of Ultraviolet Rotational Band Contours of the DNA Base Adenine: Determination of the Transition Moment.

J. Phys. Chem. A 110 (2006) 11819

Schmitt, M., Brause, R., Marian, C., Salzmann, S., Meerts, W. L.:

Electronically excited states of tryptamine and its microhydrated complex.

J. Chem. Phys. 125 (2006) 124309

Schmitt, M., Feng, K., Böhm, M., Kleinermanns, K.:

Low frequency backbone vibrations of individual conformational isomers: tryptamine.

J. Chem. Phys. 125 (2006) 144303

Meerts, W. L. und Schmitt, M.:

Application of Genetic Algorithms in automated assignments of high resolution spectra.

Int. Rev. Phys. Chem. 25 (2006) 353

Schmitt, M., Böhm, M., Ratzer, C., Krügler, D., Kleinermanns, K., Kalkman, I., Berden, G., Meerts, W. L.:

Determining the intermolecular structure in the S₀ and S₁ states of the phenol dimer by rotationally resolved electronic spectroscopy.

ChemPhysChem 7 (2006) 1241

Schmitt, M., Böhm, M., Ratzer, C., Siegert, S., van Beek, M., Meerts, W. L.:

Electronic excitation in the benzonitrile dimer: The intermolecular structure in the S₀ and S₁ state determined by rotationally resolved electronic spectroscopy.

J. Mol. Struct. 795 (2006) 234

Jacoby, C., Böhm, M., Vu, C., Ratzer, C., Schmitt, M.:

Probing the acidity of p-substituted phenols in the excited state: electronic spectroscopy of the p-cyanophenol-water cluster.

ChemPhysChem 7 (2006) 448

Schmitt, M., Krügler, D., Böhm, M., Ratzer, C., Bednarska, V., Kalkman, I., Meerts, W. L.:

A genetic algorithm based determination of the ground and excited ¹L_b state structure and the orientation of the transition dipole moment of benzimidazole.

Phys. Chem. Chem. Phys. 8 (2006) 228

Meerts, W. L. und Schmitt, M.:

A new automated assign and analysing method for high resolution rotational resolved spectra using Genetic Algorithms.

Phys. Scripta 73 (2006) C47

Brause, R., Krügler, D., Schmitt, M., Kleinermanns, K., Nakajima, A., Miller, T. A.:

Determination of the excited state structure of 7-azaindole water cluster using a Franck-Condon analysis.

J. Chem. Phys. 123 (2005) 224311

Myszkiewicz, G., Meerts, W. L., Ratzer, C., Schmitt, M.:

Structure Determination of Resorcinol Rotamers by High-Resolution UV Spectroscopy.

ChemPhysChem 6 (2005) 2129

Schmitt, M., Böhm, M., Ratzer, C., Vu, C., Kalkman, I., Meerts, W. L.:

Structural selection by microsolvation: conformational locking of tryptamine.

J. Am. Chem. Soc. 127 (2005), 10356

Myszkiewicz, G., Meerts, W. L., Ratzer, C., Schmitt, M.:

The structure of 4-methylphenol and its water cluster revealed by rotationally resolved UV-spectroscopy using a genetic algorithm approach.

J. Chem. Phys. 123 (2005) 044304

Myszkiewicz, G., Meerts, W. L., Ratzer, C., Schmitt, M.:

Rotational isomers of hydroxy deuterated o- and m-cresols studied by ultraviolet high resolution experiments.

Phys. Chem. Chem. Phys. 7 (2005) 2142

Schmitt, M., Ratzer, C., Jacoby, C., Meerts, W. L.:

Structure and barrier to internal rotation of 4-methylstyrene in the S₀- and S₁-state.

J. Mol. Struc. 742 (2005) 123