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2018-08-14
11:14
[PUBDB-2018-02944] Conference Presentation

Observation of different reactivities of para- and ortho-water towards cold diazenylium $\mathrm{(N_{2}H^{+})}$ ions
General Assembly of the German Bunsen Society for Physical Chemistry, Bunsentagung 2018, HannoverHannover, Germany, 10 May 2018 - 12 May 20182018-05-102018-05-12
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2018-07-24
16:55
[PUBDB-2018-02671] Conference Presentation (Invited)

COMOTION - Controlling the motion of large molecules and particles
9th Conference on isolated Biomolecules and Biomolecular Interactions, IBBI, Oxford UniversityOxford, Oxford University, United Kingdom, 10 Apr 2016 - 15 Apr 20162016-04-102016-04-15

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2018-07-24
16:49
[PUBDB-2018-02670] Conference Presentation (Invited)

Controlling the motion of very large molecules and particles
116th General Assembly of the German Bunsen Society for Physical Chemistry, University of KaiserslauternKaiserslautern, University of Kaiserslautern, Germany, 25 May 2017 - 27 May 20172017-05-252017-05-27

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2018-07-24
16:44
[PUBDB-2018-02669] Talk (non-conference) (Invited)

Controlling the motion of very large molecules and particles
Seminar, Australian National UniversityCanberra, Australian National University, Australia, 4 Jul 20172017-07-04

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2018-05-29
14:42
OpenAccess [PUBDB-2018-02134] Report/Journal Article
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Observation of different reactivities of para and ortho-water towards trapped diazenylium ions
[arXiv:1804.05925]
Water is one of the most fundamental molecules in chemistry, biology and astrophysics. It exists as two distinct nuclear-spin isomers, para- and ortho-water, which do not interconvert in isolated molecules. [...]
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2018-03-23
11:09
OpenAccess [PUBDB-2018-01536] Journal Article
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RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields
A general variational approach for computing the rovibrational dynamics of polyatomic molecules in thepresence of external electric fields is presented. Highly accurate, full-dimensional variational calculationsprovide a basis of field-free rovibrational states for evaluating the rovibrational matrix elements of high-rankCartesian tensor operators, and for solving the time-dependent Schrödinger equation. [...]
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2018-03-15
10:24
OpenAccess [PUBDB-2018-01479] Journal Article
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Communication: Strong laser alignment of solvent-solute aggregates in the gas-phase
trong quasi-adiabatic laser alignment of the indole-water-dimer clusters, an amino-acid chromophore bound to a single water molecule through a hydrogen bond, was experimentally realized. The alignment was visualized through ion and electron imaging following strong-field ionization. [...]
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2018-01-09
13:41
[PUBDB-2018-00288] Journal Article
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Imaging the inelastic scattering of vibrationally excited NO ($v  = 1$) with Ar
The inelastic scattering of vibrationally excited NO ($v = 1$) with Ar at a collision energy of 3.0  kcal  mol$^{−1}$ was investigated in crossed beams. Vibrationally excited NO was generated by flash heating and rotationally cooled by the supersonic expansion. [...]
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2017-12-22
15:55
OpenAccess [PUBDB-2017-14103] Bachelor Thesis
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Preparatory studies on diiodo-molecules for use in gas phase electron diffraction
53 pp. () [10.3204/PUBDB-2017-14103] = Bachelorarbeit, University of Hamburg, 2017  GO
In the framework of this thesis several candidate molecules were tested with regard to their feasibility for benchmark electron diffraction experiments on controlled gaseous samples. Electron diffraction serves as a tool for structure determination of molecules in the gas phase without the need for crystalline samples. [...]
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2017-12-21
10:27
[PUBDB-2017-13932] Journal Article
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Antagonistic Interplay Between an Intermolecular CH···O and an Intramolecular OH···O Hydrogen Bond in a 1:1 Complex Between 1,2-Cyclohexanedione and Chloroform: A Combined Matrix Isolation Infrared and Quantum Chemistry Study
Matrix isolation infrared spectra of a weak C–H···O hydrogen-bonded complex between the keto–enol form of 1,2-cyclohexanedione (HCHD) and chloroform have been measured. The spectra reveal that the intramolecular O–H···O H-bond of HCHD is weakened as a result of complex formation, manifesting in prominent blue shift (∼23 cm$^{–1}$) of the νO–H band and red shifts (∼7 cm$^{–1}$) of ν$_{C═O}$ bands of the acceptor (HCHD). [...]
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