Spectroscopic Properties of a Strongly Anharmonic Mannich Base N-oxide
- Author
- JEZIERSKA, Aneta1 2 ; PANEK, Jarosław J1 3 ; KOLL, Aleksander1
[1] University of Wroclaw, Faculty of Chemistry F. Joliot-Curie 14, 50-383 Wroclaw, Poland
[2] International School for Advanced Studies (SISSA) INFM DEMOCRITOS, Italian Institute of Technology SISSA Unit, Via Beirut 2-4, 34014 Trieste, Italy
[3] National Institute of Chemistry, Hajdrihova 19, 1001 Ljubljana, Slovenia - Source
ChemPhysChem (Print). 2008, Vol 9, Num 6, pp 839-846, 8 p ; ref : 72 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- NMR spectroscopy anharmonic systems intramolecular hydrogen bonds molecular dynamics solid-state studies
- Keyword (fr)
- Amine oxyde Calcul ab initio Chlore Composé organique Composé organique Dynamique moléculaire Equation Schrödinger Etat solide Etude théorique Fonction autocorrélation Liaison hydrogène intramoléculaire Mode vibration Moment dipolaire Méthode dynamique moléculaire Phénols Proton Spectre RMN Transformation Fourier 3115A 3115Q Amine (3,5-dichloro-2-hydroxyphénylméthyl diéthyl) Phénol(4,6-dichloro) dérivé
- Keyword (en)
- Amine oxide Ab initio calculations Chlorine Organic compounds Organic compounds Molecular dynamics Schroedinger equation Solid state Theoretical study Autocorrelation function Intramolecular hydrogen bond Vibrational modes Dipole moments Molecular dynamics method Phenols Protons NMR spectra Fourier transformation
- Keyword (es)
- Amina óxido Dinámica molecular Estado sólido Función autocorrelación Enlace hidrógeno intramolecular
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15Q Molecular dynamics and other numerical methods
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 20290083
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
10.1002/cphc.200700769 
https://dx.doi.org/10.1002/cphc.200700769
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