| Year |
Citation |
Score |
| 2024 |
Schmitt M, Martini J, Henrichs C, Ortlepp J. Vibronic splitting of the electronic origin in two conformers of the 3-tolunitrile dimer. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202400509. PMID 39007184 DOI: 10.1002/cphc.202400509 |
0.318 |
|
| 2021 |
Hebestreit ML, Lartian H, Henrichs C, Kühnemuth R, Meerts WL, Schmitt M. Excited state dipole moments and lifetimes of 2-cyanoindole from rotationally resolved electronic Stark spectroscopy. Physical Chemistry Chemical Physics : Pccp. 23: 10196-10204. PMID 33951126 DOI: 10.1039/d1cp00097g |
0.336 |
|
| 2020 |
Henrichs C, Reineke M, Hebestreit M, Schmitt M. Excited State Structure of Isolated 4-Cyanoindole from a Combined Franck-Condon and Rotational Constants Analysis† Journal of Molecular Structure. 129241. DOI: 10.1016/J.Molstruc.2020.129241 |
0.468 |
|
| 2020 |
Hebestreit M, Lartian H, Schneider M, Kühnemuth R, Torres-Boy AY, Romero-Servin S, Ruiz-Santoyo JA, Alvarez-Valtierra L, Meerts WL, Schmitt M. Structure and excited state dipole moments of oxygen containing heteroaromatics: 2,3-benzofuran Journal of Molecular Structure. 1210: 127992. DOI: 10.1016/J.Molstruc.2020.127992 |
0.451 |
|
| 2020 |
Henrichs C, Hebestreit M, Krügler D, Schmitt M. Structural changes upon electronic excitation in 1,2-dimethoxybenzene from Franck-Condon fits of the fluorescence emission spectra Journal of Molecular Structure. 1211: 127855. DOI: 10.1016/J.Molstruc.2020.127855 |
0.461 |
|
| 2019 |
Lindic MM, Zajonz M, Gers-Panther C, Müller TJJ, Schmitt M. The excited state dipole moment of 2-[(4-methoxyphenyl)ethynyl]-3-(1-methyl-1H-indol-3-yl)-quinoxaline from thermochromic shifts. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 117574. PMID 31748161 DOI: 10.1016/J.Saa.2019.117574 |
0.409 |
|
| 2019 |
Hebestreit ML, Schneider M, Lartian H, Betz V, Heinrich M, Lindic M, Choi MY, Schmitt M. Structures, dipole moments and excited state lifetime of isolated 4-cyanoindole in its ground and lowest electronically excited singlet states. Physical Chemistry Chemical Physics : Pccp. PMID 31222195 DOI: 10.1039/C9Cp01618J |
0.439 |
|
| 2019 |
Yatsyna V, Mallat R, Gorn T, Schmitt M, Feifel R, Rijs AM, Zhaunerchyk V. Competition between folded and extended structures of alanylalanine (Ala-Ala) in a molecular beam. Physical Chemistry Chemical Physics : Pccp. PMID 30869702 DOI: 10.1039/C9Cp00140A |
0.347 |
|
| 2019 |
Yatsyna V, Mallat R, Gorn T, Schmitt M, Feifel R, Rijs AM, Zhaunerchyk V. Conformational Preferences of Isolated Glycylglycine (Gly-Gly) Investigated with IRMPD-VUV Action Spectroscopy and Advanced Computational Approaches. The Journal of Physical Chemistry. A. PMID 30608157 DOI: 10.1021/Acs.Jpca.8B10881 |
0.33 |
|
| 2019 |
Cialla-May D, Schmitt M, Popp J. Theoretical principles of Raman spectroscopy Physical Sciences Reviews. 4. DOI: 10.1515/Psr-2017-0040 |
0.33 |
|
| 2019 |
Hebestreit M, Henrichs C, Schneider M, Wilke M, Meerts WL, Krügler D, Schmitt M. Structural changes upon electronic excitation in 1,2-dimethoxybenzene from rotationally resolved electronic spectroscopy of various isotopologues Journal of Molecular Structure. 1184: 139-145. DOI: 10.1016/J.Molstruc.2019.01.074 |
0.428 |
|
| 2018 |
Lindic MM, Zajonz M, Hebestreit ML, Schneider M, Meerts WL, Schmitt M. Additional data for evaluation of the excited state dipole moments of anisole. Data in Brief. 21: 313-315. PMID 30364665 DOI: 10.1016/J.Dib.2018.09.110 |
0.391 |
|
| 2018 |
Schneider M, Hebestreit ML, Lindic MM, Parsian H, Torres-Boy AY, Álvarez-Valtierra L, Meerts WL, Kühnemuth R, Schmitt M. Rotationally resolved electronic spectroscopy of 3-cyanoindole and the 3-cyanoindole-water complex. Physical Chemistry Chemical Physics : Pccp. PMID 30182125 DOI: 10.1039/C8Cp04020F |
0.43 |
|
| 2018 |
Lindic MM, Zajonz M, Hebestreit M, Schneider M, Meerts WL, Schmitt M. Excited state dipole moments of anisole in gas phase and solution Journal of Photochemistry and Photobiology a: Chemistry. 365: 213-219. DOI: 10.1016/J.Jphotochem.2018.07.047 |
0.388 |
|
| 2017 |
Schneider M, Wilke M, Hebestreit ML, Henrichs C, Meerts WL, Schmitt M. Excited-State Dipole Moments and Transition Dipole Orientations of Rotamers of 1,2-, 1,3-, and 1,4-Dimethoxybenzene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29178561 DOI: 10.1002/Cphc.201701095 |
0.44 |
|
| 2017 |
Schneider M, Wilke M, Hebestreit ML, Ruiz-Santoyo JA, Álvarez-Valtierra L, Yi JT, Meerts WL, Pratt DW, Schmitt M. Rotationally resolved electronic spectroscopy of the rotamers of 1,3-dimethoxybenzene. Physical Chemistry Chemical Physics : Pccp. PMID 28766614 DOI: 10.1039/C7Cp04401A |
0.431 |
|
| 2017 |
Wilke J, Wilke M, Brand C, Spiegel JD, Marian CM, Schmitt M. Modulation of the La / Lb mixing in an indole derivative: A position dependent study using 4-, 5-, and 6-fluoroindole. The Journal of Physical Chemistry. A. PMID 28140598 DOI: 10.1021/Acs.Jpca.6B12605 |
0.431 |
|
| 2017 |
Gmerek F, Stuhlmann B, Pehlivanovic E, Schmitt M. Franck Condon spectra of the 2-tolunitrile dimer and the binary 2-tolunitrile water cluster in the gas phase Journal of Molecular Structure. 1143: 265-273. DOI: 10.1016/J.Molstruc.2017.04.092 |
0.456 |
|
| 2017 |
Wilke M, Schneider M, Wilke J, Ruiz-Santoyo JA, Campos-Amador JJ, González-Medina ME, Álvarez-Valtierra L, Schmitt M. Rotationally resolved electronic spectroscopy study of the conformational space of 3-methoxyphenol Journal of Molecular Structure. 1140: 59-66. DOI: 10.1016/J.Molstruc.2016.10.096 |
0.442 |
|
| 2017 |
Wilke M, Brand C, Wilke J, Schmitt M. Influence of the position of the methoxy group on the stabilities of the syn and anti conformers of 4-, 5-, and 6-methoxyindole Journal of Molecular Spectroscopy. 337: 137-144. DOI: 10.1016/J.Jms.2017.04.009 |
0.339 |
|
| 2016 |
Schmitt M, Spiering F, Zhaunerchyk V, Jongma RT, Jaeqx S, Rijs AM, van der Zande WJ. Far-infrared spectra of the tryptamine A conformer by IR-UV ion gain spectroscopy. Physical Chemistry Chemical Physics : Pccp. PMID 27847955 DOI: 10.1039/C6Cp02358D |
0.387 |
|
| 2016 |
Wilke J, Wilke M, Brand C, Meerts L, Schmitt M. On the Additivity of Molecular Fragment Dipole Moments of 5-Substituted Indole Derivatives. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27247250 DOI: 10.1002/Cphc.201600420 |
0.417 |
|
| 2016 |
Wilke M, Brand C, Wilke J, Schmitt M. The conformational space of the neurotransmitter serotonin: how the rotation of a hydroxyl group changes all. Physical Chemistry Chemical Physics : Pccp. PMID 27136975 DOI: 10.1039/C6Cp02130A |
0.399 |
|
| 2016 |
Gmerek F, Stuhlmann B, Álvarez-Valtierra L, Pratt DW, Schmitt M. Electronic spectra of 2- and 3-tolunitrile in the gas phase. II. Geometry changes from Franck-Condon fits of fluorescence emission spectra. The Journal of Chemical Physics. 144: 084304. PMID 26931699 DOI: 10.1063/1.4941924 |
0.434 |
|
| 2016 |
Ruiz-Santoyo JA, Wilke J, Wilke M, Yi JT, Pratt DW, Schmitt M, Álvarez-Valtierra L. Electronic spectra of 2- and 3-tolunitrile in the gas phase. I. A study of methyl group internal rotation via rovibronically resolved spectroscopy. The Journal of Chemical Physics. 144: 044303. PMID 26827213 DOI: 10.1063/1.4939796 |
0.407 |
|
| 2016 |
Wilke J, Wilke M, Meerts WL, Schmitt M. Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole. The Journal of Chemical Physics. 144: 044201. PMID 26827210 DOI: 10.1063/1.4940689 |
0.434 |
|
| 2015 |
Ruiz-Santoyo JA, Rodríguez-Matus M, Cabellos JL, Yi JT, Pratt DW, Schmitt M, Merino G, Álvarez-Valtierra L. Intramolecular structure and dynamics of mequinol and guaiacol in the gas phase: Rotationally resolved electronic spectra of their S1 states. The Journal of Chemical Physics. 143: 094301. PMID 26342364 DOI: 10.1063/1.4928696 |
0.46 |
|
| 2014 |
Stuhlmann B, Gräßle A, Schmitt M. Determination of the geometry change of 5-cyanoindole upon electronic excitation from a combined Franck-Condon/rotational constants fit. Physical Chemistry Chemical Physics : Pccp. 16: 899-905. PMID 24060846 DOI: 10.1039/C3Cp51795K |
0.465 |
|
| 2014 |
Stuhlmann B, Gmerek F, Krügler D, Schmitt M. Determination of the geometry change of benzimidazole upon electronic excitation from a combined Franck–Condon/rotational constants fit Journal of Molecular Structure. 1072: 45-52. DOI: 10.1016/J.Molstruc.2014.04.005 |
0.443 |
|
| 2013 |
Brand C, Rolf J, Wilke M, Schmitt M. High resolution electronic spectroscopy of vibrationally hot bands of benzimidazole. The Journal of Physical Chemistry. A. 117: 12812-20. PMID 24261704 DOI: 10.1021/Jp408755Q |
0.463 |
|
| 2013 |
Meyer T, Chemnitz M, Baumgartl M, Gottschall T, Pascher T, Matthäus C, Romeike BF, Brehm BR, Limpert J, Tünnermann A, Schmitt M, Dietzek B, Popp J. Expanding multimodal microscopy by high spectral resolution coherent anti-Stokes Raman scattering imaging for clinical disease diagnostics. Analytical Chemistry. 85: 6703-15. PMID 23781826 DOI: 10.1021/Ac400570W |
0.316 |
|
| 2013 |
Brand C, Oeltermann O, Wilke M, Schmitt M. Position matters: high resolution spectroscopy of 6-methoxyindole. The Journal of Chemical Physics. 138: 024321. PMID 23320697 DOI: 10.1063/1.4773468 |
0.474 |
|
| 2013 |
Engler G, Seefeld K, Schmitt M, Tatchen J, Grotkopp O, Müller TJ, Kleinermanns K. Acetylation makes the difference: a joint experimental and theoretical study on low-lying electronically excited states of 9H-adenine and 9-acetyladenine. Physical Chemistry Chemical Physics : Pccp. 15: 1025-31. PMID 23223195 DOI: 10.1039/C2Cp42859H |
0.726 |
|
| 2013 |
Zedler L, Guthmuller J, Rabelo De Moraes I, Krieck S, Schmitt M, Popp J, Dietzek B. Redox state sensitive spectroscopy of the model compound [(H-dcbpy) 2RuII(NCS)2]2- (dcbpy = 2,2′-bipyridine-4,4′-dicarboxylato) Journal of Physical Chemistry C. 117: 6669-6677. DOI: 10.1021/Jp400193K |
0.428 |
|
| 2013 |
Brand C, Happe B, Oeltermann O, Wilke M, Schmitt M. High resolution spectroscopy of several rovibronically excited bands of 5-cyanoindole-The effect of vibrational averaging Journal of Molecular Structure. 1044: 21-25. DOI: 10.1016/J.Molstruc.2012.11.049 |
0.452 |
|
| 2012 |
Oeltermann O, Brand C, Wilke M, Schmitt M. Ground and electronically excited singlet state structures of the syn and anti rotamers of 5-hydroxyindole. The Journal of Physical Chemistry. A. 116: 7873-9. PMID 22741950 DOI: 10.1021/Jp3042523 |
0.451 |
|
| 2012 |
Brand C, Oeltermann O, Wilke M, Tatchen J, Schmitt M. Ground and electronically excited singlet-state structures of 5-fluoroindole deduced from rotationally resolved electronic spectroscopy and ab initio theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 3134-8. PMID 22730106 DOI: 10.1002/Cphc.201200345 |
0.46 |
|
| 2012 |
Oeltermann O, Brand C, Engels B, Tatchen J, Schmitt M. 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. Physical Chemistry Chemical Physics : Pccp. 14: 10266-70. PMID 22729279 DOI: 10.1039/C2Cp41094J |
0.434 |
|
| 2011 |
Hanf R, Fey S, Dietzek B, Schmitt M, Reinbothe C, Reinbothe S, Hermann G, Popp J. Protein-induced excited-state dynamics of protochlorophyllide. The Journal of Physical Chemistry. A. 115: 7873-81. PMID 21678944 DOI: 10.1021/Jp2035899 |
0.342 |
|
| 2011 |
Brand C, Meerts WL, Schmitt M. How and why do transition dipole moment orientations depend on conformer structure? The Journal of Physical Chemistry. A. 115: 9612-9. PMID 21500787 DOI: 10.1021/Jp200492S |
0.411 |
|
| 2011 |
Chau Vu TB, Brand C, Meerts WL, Schmitt M. Rotationally resolved electronic spectroscopy of 1,4-benzodioxan: the anomeric effect in the ground and electronically excited state. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2035-41. PMID 21240928 DOI: 10.1002/Cphc.201000576 |
0.458 |
|
| 2011 |
Neugebauer U, Heinemann SH, Schmitt M, Popp J. Combination of patch clamp and Raman spectroscopy for single-cell analysis. Analytical Chemistry. 83: 344-50. PMID 21141833 DOI: 10.1021/Ac1024667 |
0.305 |
|
| 2011 |
Presselt M, Schnedermann C, Müller M, Schmitt M, Popp J. Derivation of correlation functions to predict bond properties of phenyl-CH bonds based on vibrational and (1)H NMR spectroscopic quantities. The Journal of Physical Chemistry. A. 114: 10287-96. PMID 20735011 DOI: 10.1021/Jp105348D |
0.341 |
|
| 2011 |
Popp J, Schmitt M, Materny A. Preface – The Many Facets of Raman Spectroscopy Zeitschrift FüR Physikalische Chemie. 225: 643-646. DOI: 10.1524/Zpch.2011.9004 |
0.32 |
|
| 2011 |
Dörfer T, Bocklitz T, Tarcea N, Schmitt M, Popp J. Checking and Improving Calibration of Raman Spectra using Chemometric Approaches Zeitschrift FüR Physikalische Chemie. 225: 753-764. DOI: 10.1524/Zpch.2011.0077 |
0.35 |
|
| 2011 |
Oeltermann O, Brand C, Leo Meerts W, Tatchen J, Schmitt M. Rotationally resolved electronic spectroscopy of 2,3-bridged indole derivatives: Tetrahydrocarbazole Journal of Molecular Structure. 993: 2-8. DOI: 10.1016/J.Molstruc.2011.01.029 |
0.429 |
|
| 2011 |
Yi JT, Brand C, Wollenhaupt M, Pratt DW, Leo Meerts W, Schmitt M. Rotationally resolved electronic spectroscopy of biomolecules in the gas phase. Melatonin Journal of Molecular Spectroscopy. 268: 115-122. DOI: 10.1016/J.Jms.2011.04.004 |
0.448 |
|
| 2010 |
Presselt M, Dietzek B, Schmitt M, Rau S, Winter A, Jäger M, Schubert US, Popp J. A concept to tailor electron delocalization: applying QTAIM analysis to phenyl-terpyridine compounds. The Journal of Physical Chemistry. A. 114: 13163-74. PMID 21090739 DOI: 10.1021/Jp107007A |
0.336 |
|
| 2010 |
Brand C, Oeltermann O, Pratt D, Weinkauf R, Meerts WL, van der Zande W, Kleinermanns K, Schmitt M. Rotationally resolved electronic spectroscopy of 5-methoxyindole. The Journal of Chemical Physics. 133: 024303. PMID 20632751 DOI: 10.1063/1.3459128 |
0.731 |
|
| 2010 |
Brand C, Küpper J, Pratt DW, Meerts WL, Krügler D, Tatchen J, Schmitt M. Vibronic coupling in indole: I. Theoretical description of the 1La-1Lb interaction and the electronic spectrum. Physical Chemistry Chemical Physics : Pccp. 12: 4968-79. PMID 20411191 DOI: 10.1039/C001776K |
0.758 |
|
| 2010 |
Küpper J, Pratt DW, Meerts WL, Brand C, Tatchen J, Schmitt M. Vibronic coupling in indole: II. Investigation of the 1La-1Lb interaction using rotationally resolved electronic spectroscopy. Physical Chemistry Chemical Physics : Pccp. 12: 4980-8. PMID 20405070 DOI: 10.1039/C001778G |
0.761 |
|
| 2009 |
Kalkman I, Brand C, Vu TB, Meerts WL, Svartsov YN, Dopfer O, Tong X, Müller-Dethlefs K, Grimme S, Schmitt M. The structure of phenol-Ar(n) (n=1,2) clusters in their S(0) and S(1) states. The Journal of Chemical Physics. 130: 224303. PMID 19530764 DOI: 10.1063/1.3149780 |
0.399 |
|
| 2009 |
Kalkman I, Vu C, Schmitt M, Meerts WL. Structure and internal rotation in the S(0) and S(1) states of o-toluidine studied by high resolution UV spectroscopy. Physical Chemistry Chemical Physics : Pccp. 11: 4311-8. PMID 19458833 DOI: 10.1039/B821157D |
0.362 |
|
| 2009 |
Vu TB, Kalkman I, Meerts WL, Brand C, Svartsov YN, Wiedemann S, Weinkauf R, Schmitt M. The conformational landscape of 5-methoxytryptamine studied by rotationally resolved fluorescence spectroscopy and resonant ionization spectroscopy. Physical Chemistry Chemical Physics : Pccp. 11: 2433-40. PMID 19325976 DOI: 10.1039/B819469F |
0.42 |
|
| 2009 |
Böhm M, Tatchen J, Krügler D, Kleinermanns K, Nix MG, LeGreve TA, Zwier TS, Schmitt M. High-resolution and dispersed fluorescence examination of vibronic bands of tryptamine: spectroscopic signatures for L(a)/L(b) mixing near a conical intersection. The Journal of Physical Chemistry. A. 113: 2456-66. PMID 19231889 DOI: 10.1021/Jp810502V |
0.703 |
|
| 2009 |
Böhm M, Brause R, Jacoby C, Schmitt M. Conformational relaxation paths in tryptamine. The Journal of Physical Chemistry. A. 113: 488-55. PMID 19090681 DOI: 10.1021/Jp8087989 |
0.349 |
|
| 2009 |
Dietzek B, Tschierlei S, Hermann G, Yartsev A, Pascher T, Sundström V, Schmitt M, Popp J. Protochlorophyllide a: A comprehensive photophysical picture Chemphyschem. 10: 144-150. PMID 18855967 DOI: 10.1002/Cphc.200800536 |
0.376 |
|
| 2009 |
Presselt M, Schnedermann C, Schmitt M, Popp J. Prediction of electron densities, the respective laplacians, and ellipticities in bond-critical points of phenyl-CH-bonds via linear relations to parameters of inherently localized CD stretching vibrations and1H NMR-shifts Journal of Physical Chemistry A. 113: 3210-3222. DOI: 10.1021/Jp809601A |
0.404 |
|
| 2009 |
Schmitt M, Biemann L, Meerts WL, Kleinermanns K. Analysis of the FTIR spectrum of pyrazine using evolutionary algorithms Journal of Molecular Spectroscopy. 257: 74-81. DOI: 10.1016/J.Jms.2009.06.011 |
0.708 |
|
| 2008 |
Kalkman I, Vu C, Schmitt M, Meerts WL. Tunneling splittings in the S0 and S1 states of the benzoic acid dimer determined by high-resolution UV spectroscopy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1788-97. PMID 18663707 DOI: 10.1002/Cphc.200800214 |
0.432 |
|
| 2008 |
Vu TB, Kalkman I, Meerts WL, Svartsov YN, Jacoby C, Schmitt M. Rotationally resolved electronic spectroscopy of water clusters of 7-azaindole. The Journal of Chemical Physics. 128: 214311. PMID 18537426 DOI: 10.1063/1.2928637 |
0.447 |
|
| 2008 |
Svartsov YN, Schmitt M. Electronically excited states of water clusters of 7-azaindole: structures, relative energies, and electronic nature of the excited states. The Journal of Chemical Physics. 128: 214310. PMID 18537425 DOI: 10.1063/1.2928636 |
0.458 |
|
| 2008 |
Presselt M, Dietzek B, Schmitt M, Popp J, Winter A, Chiper M, Friebe C, Schubert US. Zinc(II) bisterpyridine complexes: The influence of the cation on the π-conjugation between terpyridine and the lateral phenyl substituent Journal of Physical Chemistry C. 112: 18651-18660. DOI: 10.1021/Jp807461J |
0.343 |
|
| 2007 |
Frosch T, Koncarevic S, Zedler L, Schmitt M, Schenzel K, Becker K, Popp J. In situ localization and structural analysis of the malaria pigment hemozoin. The Journal of Physical Chemistry. B. 111: 11047-56. PMID 17718555 DOI: 10.1021/Jp071788B |
0.358 |
|
| 2007 |
Frosch T, Meyer T, Schmitt M, Popp J. Device for Raman difference spectroscopy. Analytical Chemistry. 79: 6159-66. PMID 17628078 DOI: 10.1021/Ac070440+ |
0.34 |
|
| 2007 |
Brause R, Santa M, Schmitt M, Kleinermanns K. Determination of the geometry change of the phenol dimer upon electronic excitation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1394-401. PMID 17510990 DOI: 10.1002/Cphc.200700127 |
0.735 |
|
| 2007 |
Dietzek B, Gräfe S, Schmitt M, Yartsev A, Pascher T, Sundström V, Kiefer W, Ivanov MY. Experimental observation of different-order components of a vibrational wave packet in a bulk dielectric using high-order Raman scattering. Physical Review Letters. 98: 187402. PMID 17501608 DOI: 10.1103/Physrevlett.98.187402 |
0.31 |
|
| 2007 |
Herrmann C, Neugebauer J, Presselt M, Uhlemann U, Schmitt M, Rau S, Popp J, Reiher M. The first photoexcitation step of ruthenium-based models for artificial photosynthesis highlighted by resonance Raman spectroscopy. The Journal of Physical Chemistry. B. 111: 6078-87. PMID 17489631 DOI: 10.1021/Jp071692H |
0.392 |
|
| 2007 |
Brause R, Schmitt M, Kleinermanns K. Improved determination of structural changes of 2-pyridone-(H 2O)1 upon electronic excitation Journal of Physical Chemistry A. 111: 3287-3293. PMID 17419594 DOI: 10.1021/Jp067572B |
0.741 |
|
| 2007 |
Frosch T, Schmitt M, Popp J. In situ UV resonance Raman micro-spectroscopic localization of the antimalarial quinine in cinchona bark. The Journal of Physical Chemistry. B. 111: 4171-7. PMID 17394302 DOI: 10.1021/Jp066999F |
0.391 |
|
| 2007 |
Frosch T, Tarcea N, Schmitt M, Thiele H, Langenhorst F, Popp J. UV Raman imaging--a promising tool for astrobiology: comparative Raman studies with different excitation wavelengths on SNC Martian meteorites. Analytical Chemistry. 79: 1101-8. PMID 17263342 DOI: 10.1021/Ac0618977 |
0.344 |
|
| 2007 |
Frosch T, Schmitt M, Noll T, Bringmann G, Schenzel K, Popp J. Ultrasensitive in situ tracing of the alkaloid dioncophylline A in the tropical liana Triphyophyllum peltatum by applying deep-UV resonance Raman microscopy. Analytical Chemistry. 79: 986-93. PMID 17263326 DOI: 10.1021/Ac061526Q |
0.353 |
|
| 2007 |
Frosch T, Schmitt M, Bringmann G, Kiefer W, Popp J. Structural analysis of the anti-malaria active agent chloroquine under physiological conditions. The Journal of Physical Chemistry. B. 111: 1815-22. PMID 17256887 DOI: 10.1021/Jp065136J |
0.365 |
|
| 2007 |
Schmitt M, Dietzek B, Hermann G, Popp J. Femtosecond time-resolved spectroscopy on biological photoreceptor chromophores Laser & Photonics Review. 1: 57-78. DOI: 10.1002/Lpor.200710005 |
0.399 |
|
| 2006 |
Lee Y, Schmitt M, Kleinermanns K, Kim B. Observation of ultraviolet rotational band contours of the DNA base adenine: Determination of the transition moment Journal of Physical Chemistry A. 110: 11819-11823. PMID 17048813 DOI: 10.1021/Jp063890Z |
0.7 |
|
| 2006 |
Schmitt M, Feng K, Böhm M, Kleinermanns K. Low frequency backbone vibrations of individual conformational isomers: Tryptamine Journal of Chemical Physics. 125. PMID 17042586 DOI: 10.1063/1.2357593 |
0.706 |
|
| 2006 |
Schmitt M, Brause R, Marian CM, Salzmann S, Meerts WL. Electronically excited states of tryptamine and its microhydrated complex. The Journal of Chemical Physics. 125: 124309. PMID 17014176 DOI: 10.1063/1.2354494 |
0.431 |
|
| 2006 |
Schmitt M, Böhm M, Ratzer C, Krügler D, Kleinermanns K, Kalkman I, Berden G, Meerts WL. Determining the intermolecular structure in the S0 and S1 states of the phenol dimer by rotationally resolved electronic spectroscopy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1241-9. PMID 16680792 DOI: 10.1002/Cphc.200500670 |
0.727 |
|
| 2006 |
Schmitt M, Krügler D, Böhm M, Ratzer C, Bednarska V, Kalkman I, Meerts WL. A genetic algorithm based determination of the ground and excited (1Lb) state structure and the orientation of the transition dipole moment of benzimidazole. Physical Chemistry Chemical Physics : Pccp. 8: 228-35. PMID 16482265 DOI: 10.1039/B512686J |
0.422 |
|
| 2006 |
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 : a European Journal of Chemical Physics and Physical Chemistry. 7: 448-54. PMID 16411261 DOI: 10.1002/Cphc.200500365 |
0.397 |
|
| 2006 |
Meerts WL, Schmitt M. Application of genetic algorithms in automated assignments of high-resolution spectra International Reviews in Physical Chemistry. 25: 353-406. DOI: 10.1080/01442350600785490 |
0.313 |
|
| 2006 |
Böhm M, Ratzer C, Schmitt M. The structure of p-chlorophenol and barrier to internal OH rotation in the S1-state Journal of Molecular Structure. 800: 55-61. DOI: 10.1016/J.Molstruc.2006.03.081 |
0.462 |
|
| 2006 |
Schmitt M, Böhm M, Ratzer C, Siegert S, Beek Mv, Meerts WL. Electronic excitation in the benzonitrile dimer: The intermolecular structure in the S0 and S1 state determined by rotationally resolved electronic spectroscopy Journal of Molecular Structure. 795: 234-241. DOI: 10.1016/J.Molstruc.2006.02.036 |
0.447 |
|
| 2005 |
Myszkiewicz G, Meerts WL, Ratzer C, Schmitt M. Rotational isomers of hydroxy deuterated o- and m-cresols studied by ultraviolet high resolution experiments. Physical Chemistry Chemical Physics : Pccp. 7: 2142-50. PMID 19791406 DOI: 10.1039/B418847K |
0.399 |
|
| 2005 |
Brause R, Krügler D, Schmitt M, Kleinermanns K, Nakajima A, Miller TA. Determination of the excited-state structure of 7-azaindole-water cluster using a Franck-Condon analysis. The Journal of Chemical Physics. 123: 224311. PMID 16375480 DOI: 10.1063/1.2136868 |
0.742 |
|
| 2005 |
Myszkiewicz G, Meerts WL, Ratzer C, Schmitt M. Structure determination of resorcinol rotamers by high-resolution UV spectroscopy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 2129-36. PMID 16208755 DOI: 10.1002/Cphc.200500243 |
0.426 |
|
| 2005 |
Myszkiewicz G, Meerts WL, Ratzer C, Schmitt M. The structure of 4-methylphenol and its water cluster revealed by rotationally resolved UV spectroscopy using a genetic algorithm approach. The Journal of Chemical Physics. 123: 044304. PMID 16095355 DOI: 10.1063/1.1961615 |
0.406 |
|
| 2005 |
Schmitt M, Böhm M, Ratzer C, Vu C, Kalkman I, Meerts WL. Structural selection by microsolvation: conformational locking of tryptamine. Journal of the American Chemical Society. 127: 10356-64. PMID 16028948 DOI: 10.1021/Ja0522377 |
0.33 |
|
| 2005 |
Schmitt M, Ratzer C, Jacoby C, Meerts WL. Structure and barrier to internal rotation of 4-methylstyrene in the S 0- and S1-state Journal of Molecular Structure. 742: 123-130. DOI: 10.1016/J.Molstruc.2005.01.010 |
0.445 |
|
| 2004 |
Jacoby C, Schmitt M. Torsional barriers in aromatic molecular clusters as probe of the electronic properties of the chromophore. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1686-94. PMID 15580928 DOI: 10.1002/Cphc.200400281 |
0.312 |
|
| 2004 |
Dietzek B, Maksimenka R, Hermann G, Kiefer W, Popp J, Schmitt M. The excited-state dynamics of phycocyanobilin in dependence on the excitation wavelength. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1171-7. PMID 15446739 DOI: 10.1002/Cphc.200400056 |
0.392 |
|
| 2004 |
Schmitt M, Ratzer C, Meerts WL. The structure of the phenol-nitrogen cluster: a joint experimental and ab initio study. The Journal of Chemical Physics. 120: 2752-8. PMID 15268420 DOI: 10.1063/1.1638378 |
0.458 |
|
| 2004 |
Szeghalmi AV, Erdmann M, Engel V, Schmitt M, Amthor S, Kriegisch V, Nöll G, Stahl R, Lambert C, Leusser D, Stalke D, Zabel M, Popp J. How delocalized is N,N,N',N'-tetraphenylphenylenediamine radical cation? An experimental and theoretical study on the electronic and molecular structure. Journal of the American Chemical Society. 126: 7834-45. PMID 15212531 DOI: 10.1021/Ja0395386 |
0.404 |
|
| 2004 |
Meerts WL, Schmitt M, Groenenboom GC. New applications of the genetic algorithm for the interpretation of high-resolution spectra Canadian Journal of Chemistry. 82: 804-819. DOI: 10.1139/V04-037 |
0.404 |
|
| 2004 |
Brause R, Schmitt M, Krügler D, Kleinermanns K. Determination of the excited state structure of 7-azaindole using a Franck-Condon analysis Molecular Physics. 102: 1615-1623. DOI: 10.1080/00268970410001725792 |
0.735 |
|
| 2004 |
Schmitt M, Ratzer C, Kleinermanns K, Meerts WL. Determination of the structure of 7-azaindole in the electronic ground and excited state using high-resolution ultraviolet spectroscopy and an automated assignment based on a genetic algorithm Molecular Physics. 102: 1605-1614. DOI: 10.1080/00268970410001725747 |
0.671 |
|
| 2004 |
Schirmeister T, Breuning A, Murso A, Stalke D, Mladenovic M, Engels B, Szeghalmi A, Schmitt M, Kiefer W, Popp J. Conformation and Hydrogen Bonding Properties of an Aziridinyl Peptide: X-ray Structure Analysis, Raman Spectroscopy and Theoretical Investigations The Journal of Physical Chemistry A. 108: 11398-11408. DOI: 10.1021/Jp047026N |
0.307 |
|
| 2003 |
Westphal A, Jacoby C, Ratzer C, Reichelt A, Schmitt M. Determination of the intermolecular geometry of the phenol–methanol cluster Physical Chemistry Chemical Physics. 5: 4114-4122. DOI: 10.1039/B307223A |
0.38 |
|
| 2003 |
Ratzer C, Nispel M, Schmitt M. Structure of 4-fluorophenol and barrier to internal -OH rotation in the S1-state Physical Chemistry Chemical Physics. 5: 812-819. DOI: 10.1039/B210188B |
0.474 |
|
| 2002 |
Kiefer W, Materny A, Schmitt M. Femtosecond time-resolved spectroscopy of elementary molecular dynamics. Die Naturwissenschaften. 89: 250-8. PMID 12146789 DOI: 10.1007/S00114-002-0322-2 |
0.385 |
|
| 2002 |
Siebert T, Schmitt M, Engel V, Materny A, Kiefer W. Population dynamics in vibrational modes during non-Born-Oppenheimer processes: CARS spectroscopy used as a mode-selective filter Journal of the American Chemical Society. 124: 6242-6243. PMID 12033844 DOI: 10.1021/Ja0173831 |
0.361 |
|
| 2002 |
Küpper J, Schmitt M, Kleinermanns K. The rotationally resolved electronic spectrum of p-cyanophenol Physical Chemistry Chemical Physics. 4: 4634-4639. DOI: 10.1039/B205644E |
0.8 |
|
| 2002 |
PLüTZER C, Jacoby C, Schmitt M. Internal Rotation and Intermolecular Vibrations of the Phenol-Methanol Cluster: A Comparison of Spectroscopic Results and Ab Initio Theory Journal of Physical Chemistry A. 106: 3998-4004. DOI: 10.1021/Jp011422D |
0.423 |
|
| 2002 |
Ratzer C, Küpper J, Spangenberg D, Schmitt M. The structure of phenol in the S1-state determined by high resolution UV-spectroscopy Chemical Physics. 283: 153-169. DOI: 10.1016/S0301-0104(02)00591-8 |
0.767 |
|
| 2001 |
Schmitt M, Plützer C, Kleinermanns K. Determination of the structures of benzotriazole(H2O)1, 2 clusters by IR-UV spectroscopy and ab initio theory Physical Chemistry Chemical Physics. 3: 4218-4227. DOI: 10.1039/B104889A |
0.701 |
|
| 2001 |
Küpper J, Westphal A, Schmitt M. The structure of the binary phenol-methanol cluster: A comparison of experiment and ab initio theory Chemical Physics. 263: 41-53. DOI: 10.1016/S0301-0104(00)00354-2 |
0.757 |
|
| 2000 |
Schmitt M, Jacoby C, Gerhards M, Unterberg C, Roth W, Kleinermanns K. Structures and vibrations of phenol(NH3)2-4 clusters Journal of Chemical Physics. 113: 2995-3001. DOI: 10.1063/1.1286916 |
0.714 |
|
| 2000 |
Schmitt M, Küpper J, Spangenberg D, Westphal A. Determination of the structures and barriers to hindered internal rotation of the phenol-methanol cluster in the S0 and S1 states Chemical Physics. 254: 349-361. DOI: 10.1016/S0301-0104(00)00048-3 |
0.754 |
|
| 2000 |
Jacoby C, Roth W, Schmitt M. A comparison of intermolecular vibrations and tautomerism in benzimidazole, benzotriazole and their binary water clusters Applied Physics B. 71: 643-649. DOI: 10.1007/S003400000427 |
0.333 |
|
| 1999 |
Roth W, Spangenberg D, Janzen C, Westphal A, Schmitt M. The relative stabilities of benzotriazole tautomers determined by a rotational band contour analysis of the N–H stretching vibration Chemical Physics. 248: 17-25. DOI: 10.1016/S0301-0104(99)00262-1 |
0.387 |
|
| 1998 |
Schmitt M, Jacoby C, Kleinermanns K. Torsional splitting of the intermolecular vibrations of phenol (H2O)1 and its deuterated isotopomers Journal of Chemical Physics. 108: 4486-4495. DOI: 10.1063/1.475860 |
0.716 |
|
| 1998 |
Jacoby C, Roth W, Schmitt M, Janzen C, Spangenberg D, Kleinermanns K. Intermolecular vibrations of phenol(H2O)2-5 and phenol(D2O)2-5-d1 studied by UV double-resonance spectroscopy and ab initio theory Journal of Physical Chemistry A. 102: 4471-4480. DOI: 10.1021/Jp9806157 |
0.715 |
|
| 1998 |
Roth W, Jacoby C, Westphal aA, Schmitt M. A Study Of 2H- And 2D-Benzotriazole In Their Lowest Electronic States By Uv-Laser Double Resonance Spectroscopy Journal of Physical Chemistry A. 102: 3048-3059. DOI: 10.1021/Jp980239Q |
0.333 |
|
| 1998 |
Roth W, Schmitt M, Jacoby C, Spangenberg D, Janzen C, Kleinermanns K. Double resonance spectroscopy of phenol(H2O)1-12: Evidence for ice-like structures in aromate-water clusters? Chemical Physics. 239: 1-9. DOI: 10.1016/S0301-0104(98)00252-3 |
0.73 |
|
| 1996 |
Berden G, Meerts WL, Schmitt M, Kleinermanns K. High resolution UV spectroscopy of phenol and the hydrogen bonded phenol-water cluster Journal of Chemical Physics. 104: 972-982. DOI: 10.1063/1.470821 |
0.729 |
|
| 1996 |
Gerhards M, Schmitt M, Kleinermanns K, Stahl W. The structure of phenol(H2O) obtained by microwave spectroscopy Journal of Chemical Physics. 104: 967-971. DOI: 10.1063/1.470820 |
0.7 |
|
| 1995 |
Schmitt M, Henrichs U, Müller H, Kleinermanns K. Intermolecular vibrations of the phenol dimer revealed by spectral hole burning and dispersed fluorescence spectroscopy The Journal of Chemical Physics. 103: 9918-9928. DOI: 10.1063/1.470686 |
0.733 |
|
| 1995 |
Schmitt M, Müller H, Henrichs U, Gerhards M, Perl W, Deusen C, Kleinermanns K. Structure and vibrations of phenol·CH3OH (CD 3OD) in the electronic ground and excited state, revealed by spectral hole burning and dispersed fluorescence spectroscopy The Journal of Chemical Physics. 103: 584-594. DOI: 10.1063/1.470093 |
0.75 |
|
| 1995 |
Schiefke A, Deusen C, Jacoby C, Gerhards M, Schmitt M, Kleinermanns K, Hering P. Structure and vibrations of the phenol-ammonia cluster The Journal of Chemical Physics. 102: 9197-9204. DOI: 10.1063/1.468869 |
0.711 |
|
| 1994 |
Schmitt M, Müller H, Kleinermanns K. A study of intermolecular vibrational frequencies of phenol·(H2O)3 by spectral hole burning spectroscopy Chemical Physics Letters. 218: 246-248. DOI: 10.1016/0009-2614(93)E1481-U |
0.695 |
|
| 1993 |
Kamps R, Müller H, Schmitt M, Sommer S, Wang Z, Kleinermanns K. Photooxidation of exhaust pollutants. I. Degradation efficiencies, quantum yields and products of benzene photooxidation Chemosphere. 27: 2127-2142. DOI: 10.1016/0045-6535(93)90125-O |
0.649 |
|
| 1992 |
Gerhards M, Kimpfel B, Pohl M, Schmitt M, Kleinermanns K. Vibronic spectroscopy of jet-cooled hydrogen-bonded clusters Journal of Molecular Structure. 270: 301-324. DOI: 10.1016/0022-2860(92)85036-G |
0.701 |
|
| 1991 |
Pohl M, Schmitt M, Kleinermanns K. Microscopic shifts of size‐assigned p‐cresol/H2O‐cluster spectra Journal of Chemical Physics. 94: 1717-1723. DOI: 10.1063/1.459944 |
0.709 |
|
| 1991 |
Pohl M, Schmitt M, Kleinermanns K. Vibrational spectroscopy of size-assigned p-cresol/H2O-clusters in the S0 and S1 state Chemical Physics Letters. 177: 252-260. DOI: 10.1016/0009-2614(91)85025-R |
0.706 |
|
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