Sökning: WFRF:(GELMUKHANOV F) > A study of the wate...
Fältnamn | Indikatorer | Metadata |
---|---|---|
000 | 03150naa a2200529 4500 | |
001 | oai:DiVA.org:kth-187012 | |
003 | SwePub | |
008 | 160516s2017 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-1870122 URI |
024 | 7 | a https://doi.org/10.1039/C7CP01215B2 DOI |
040 | a (SwePub)kth | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Vaz da Cruz, Vinicius,d 1987-u KTH,Teoretisk kemi och biologi,Theoretical chemistry and biology4 aut0 (Swepub:kth)u1eyvmsj |
245 | 1 0 | a A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering |
264 | 1 | b Royal Society of Chemistry,c 2017 |
338 | a print2 rdacarrier | |
500 | a QC 20160516 | |
520 | a In this combined theoretical and experimental study we report a full analysis of the resonant inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that electronically-elastic RIXS has an inherent capability to map the potential energy surface and to perform vibrational analysis of the electronic ground state in multimode systems. We show that the control and selection of vibrational excitation can be performed by tuning the X-ray frequency across core-excited molecular bands and that this is clearly reflected in the RIXS spectra. Using high level ab initio electronic structure and quantum nuclear wave packet calculations together with high resolution RIXS measurements, we discuss in detail the mode coupling, mode localization and anharmonicity in the studied systems. | |
650 | 7 | a NATURVETENSKAPx Fysikx Atom- och molekylfysik och optik0 (SwePub)103022 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Atom and Molecular Physics and Optics0 (SwePub)103022 hsv//eng |
653 | a RIXS | |
653 | a water | |
653 | a quantum dynamics | |
653 | a x-ray | |
653 | a Teoretisk kemi och biologi | |
653 | a Theoretical Chemistry and Biology | |
700 | 1 | a Ertan, Emelie4 aut |
700 | 1 | a C. Couto, Rafael,d 1987-u KTH,Teoretisk kemi och biologi,Theoretical Chemistry and Biology4 aut0 (Swepub:kth)u1vyrgm1 |
700 | 1 | a Eckert, Sebastian4 aut |
700 | 1 | a Fondell, Mattis4 aut |
700 | 1 | a Dantz, Marcus4 aut |
700 | 1 | a O'Cinneide, Brian4 aut |
700 | 1 | a Schmitt, Thorsten4 aut |
700 | 1 | a Pietzsch, Annette4 aut |
700 | 1 | a F. Guimarães, Freddy4 aut |
700 | 1 | a Ågren, Hansu KTH,Teoretisk kemi och biologi4 aut0 (Swepub:kth)u1l2s96v |
700 | 1 | a Gelmukhanov, Farisu KTH,Teoretisk kemi och biologi4 aut0 (Swepub:kth)u1tlrmzw |
700 | 1 | a Odelius, Michael4 aut |
700 | 1 | a Föhlisch, Alexander4 aut |
700 | 1 | a Kimberg, Victoru KTH,Teoretisk kemi och biologi4 aut0 (Swepub:kth)u1mknduo |
710 | 2 | a KTHb Teoretisk kemi och biologi4 org |
773 | 0 | t Physical Chemistry, Chemical Physics - PCCPd : Royal Society of Chemistryg 19:30, s. 19573-19589q 19:30<19573-19589x 1463-9076x 1463-9084 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-187012 |
856 | 4 8 | u https://doi.org/10.1039/C7CP01215B |
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