Structural selection by microsolvation : Conformational locking of tryptamine
- Author
- SCHMITT, Michael1 ; BÖHM, Marcel1 ; RATZER, Christian1 ; VU, Chau1 ; KALKMAN, Ivo2 ; MEERTS, W. Leo2
[1] Institut für Physikalische Chemie, Heinrich -Heine -Universität, 40225 Düsseldorf, Germany
[2] Molecular and Biophysics Group, Institute for Molecules and Materials, Radboud University Nijmegen, P.O. Box 9010, 6500 GL Nijmegen, Netherlands - Source
Journal of the American Chemical Society. 2005, Vol 127, Num 29, pp 10356-10364, 9 p ; ref : 35 ref
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul Hartree Fock Calcul ab initio Changement conformation Constante rotation Dynamique conformationnelle Etude expérimentale Etude théorique Fluorescence induite par laser Méthode fonctionnelle densité Paramètre moléculaire Solution aqueuse Transition rovibronique Transition électronique Tryptamine Composé organique
- Keyword (en)
- Hartree-Fock calculations Ab initio calculations Conformational changes Rotational constant Conformational dynamics Experimental study Theoretical study Laser induced fluorescence Density functional method Molecular parameter Aqueous solutions Rovibronic transition Electronic transition Tryptamines Organic compounds
- Keyword (es)
- Constante rotación Dinámica conformacional Parámetro molecular Transición rovibrónica Transición electrónica
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C15 Properties of molecules and molecular ions / 001B30C15H Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics)
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20W Vibronic, rovibronic and rotation-electron-spin interactions
- Pacs
- 3315H Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16988907
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ja0522377 
https://dx.doi.org/10.1021/ja0522377
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