Theoretical investigation of gas phase ethanol-(water)n(n= 1-5) clusters and comparison with gas phase pure water clusters (water)n(n= 2-6)

2012 ◽  
Vol 113 (10) ◽  
pp. 1511-1521 ◽  
Author(s):  
Guangzhan Han ◽  
Yanli Ding ◽  
Ping Qian ◽  
Chao Zhang ◽  
Wei Song
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Water Clusters ◽  
Pure Water ◽  
Phase Pure

Simulation of UV Absorption Spectra and Relaxation Dynamics of Uracil and Uracil-Water Clusters

2020 ◽  
Author(s):  
Branislav Milovanović ◽  
Jurica Novak ◽  
Mihajlo Etinski ◽  
Wolfgang Domcke ◽  
Nadja Doslic
Keyword(s):  
Aqueous Solution ◽  
Gas Phase ◽  
Absorption Spectra ◽  
Absorption Spectroscopy ◽  
Water Clusters ◽  
Uv Absorption ◽  
Relaxation Dynamics ◽  
Nonradiative Relaxation ◽  
Uv Absorption Spectra ◽  
Uv Absorption Spectroscopy

Despite many studies, the mechanisms of nonradiative relaxation of uracil in the gas phase and in aqueous solution are still not fully resolved. Here we combine theoretical UV absorption spectroscopy...

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines:  A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

2001 ◽  
Vol 123 (37) ◽  
pp. 9045-9053 ◽  
Author(s):  
Sarah L. Hinchley ◽  
Carole A. Morrison ◽  
David W. H. Rankin ◽  
Charles L. B. Macdonald ◽  
Robert J. Wiacek ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Spontaneous Generation

Experimental and theoretical investigation of gas phase complexes between chloride ion and some chloroethenes

1998 ◽  
Vol 179-180 ◽  
pp. 349-357 ◽  
Author(s):  
Alessandro Bagno ◽  
Anna Donò ◽  
Silvia Martinucci ◽  
Cristina Paradisi ◽  
Gianfranco Scorrano
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Chloride Ion

A New Liquid Droplet Laser Desorption Source Combined with Supersonic Jet Expansion: Application to Phenol and its Water Clusters

2014 ◽  
Vol 228 (4-5) ◽  
Author(s):  
Chayan Kanti Nandi ◽  
Hans-Dieter Barth ◽  
Bernhard Brutschy
Keyword(s):  
Gas Phase ◽  
Water Clusters ◽  
Liquid Droplet ◽  
Supersonic Jet ◽  
Laser Desorption ◽  
Laser Source ◽  
Published Data ◽  
Two Photon ◽  
Supersonic Jet Expansion ◽  
Phase Out

AbstractWe have developed a new laser source, for the spectroscopy of nonvolatile molecules in gas phase. It is based on a laser induced liquid bead ion desorption source (LILBID) combined with a supersonic beam. The cold molecules produced with this technique are sampled with Resonant Two Photon Ionization spectroscopy (R2PI) to measurement of the gas phase optical spectra. LILBID allows to bring nonvolatile molecule from liquid phase (out of a droplet) into gas phase, by means of multi photon ablation with IR photons exciting the vibrations of the solvent. Phenol and its different water clusters have been used as an example to demonstrate the method and to standardise the new experimental setup. The recorded R2PI spectral data of phenol monomer and its different water clusters obtained from this laser desorption technique are in very good agreement with the previously published data. This technique opens a new door for the measurement of molecules under microsolvation and potentially for

Gas-phase calorimetry of protonated water clusters

2012 ◽  
Vol 136 (16) ◽  
pp. 164307 ◽  
Author(s):  
M. Schmidt ◽  
B. von Issendorff
Keyword(s):  
Gas Phase ◽  
Water Clusters

Conformational structures of jet-cooled acetaminophen–water clusters: a gas phase spectroscopic and computational study

2017 ◽  
Vol 19 (6) ◽  
pp. 4840-4848 ◽  
Author(s):  
Ahreum Min ◽  
Ahreum Ahn ◽  
Cheol Joo Moon ◽  
Ji Hoon Lee ◽  
Yeon Guk Seong ◽  
...  
Keyword(s):  
Gas Phase ◽  
Water Clusters ◽  
Computational Study ◽  
Theoretical Calculations

Jet-cooled acetaminophen (AAP)–water clusters, AAP–(H2O)1, have been investigated by a combination of theoretical calculations and R2PI, UV–UV HB, IR-dip, IR–UV HB techniques in the gas phase.

scholarly journals A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine

2018 ◽  
Vol 13 ◽  
pp. 30-37 ◽  
Author(s):  
Nadia Balucani ◽  
Dimitrios Skouteris ◽  
Cecilia Ceccarelli ◽  
Claudio Codella ◽  
Stefano Falcinelli ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Theoretical Investigation
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