Results 1 to 10 of about 386,220 (310)

A Halomethane thermochemical network from iPEPICO experiments and quantum chemical calculations [PDF]

, 2012
Internal energy selected halomethane cations CH3Cl+, CH2Cl2+, CHCl3+, CH3F+, CH2F2+, CHClF2+ and CBrClF2+ were prepared by vacuum ultraviolet photoionization, and their lowest energy dissociation channel studied using imaging photoelectron photoion ...
Andras Bodi, Baboul A. G., Baer T., Baer T., Berry R. J., Bodi A., Bodi A., Bodi A., Bodi A., Bodi A., Bodi A., Boese A. D., Borkar S., Chase M. W., Chupka W. A., Csontos J., Cvitaš T., Dixon D. A., Doucet J., Eland J. H. D., Feller D., Feller D., Feller D., Feller D., Forysinski P. W., Grant D. J., Harvey J., Howle C. R., Hudgens J. W., Innocenti F., Johnson M., Jonelle Harvey, Karton A., Kercher J. P., Kormos B. L., Lago A. F., Lane I. C., Lasdon L. S., Lazarou Y. G., Lias S. G., Lias S. G., Luo Y. R., Manion J. A., Martin J. M. L., Parkes M. A., Peterson K. A., Raghavachari K., Richard P. Tuckett, Robles E. S. J., Rodgers A. S., Rodriquez C. F., Schuman N., Seccombe D. P., Seccombe D. P., Shuman N., Simm I. G., Simpson M. J., Smith D. M., Sztáray B., Sztáray B., Tajti A., Tang X., Traeger J. C., Von Niessen W., Weitzel K.-M., Weitzel K.-M., Weitzel K.-M., Werner A. S., Wheeler S. E., Wodrich M. D., Zhou W.   +70 more
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Aircraft based four-channel thermal dissociation laser induced fluorescence instrument for simultaneous measurements of NO2, total peroxy nitrate, total alkyl nitrate, and HNO3 [PDF]

, 2013
A four-channel thermal dissociation laser induced fluorescence (TD-LIF) instrument has been developed for simultaneous measurements of nitrogen dioxide (NO2), total peroxy nitrate (∑PNs), total alkyl nitrate (∑ANs) and nitric acid (HNO3). NO2 is measured
Aruffo, E, Bauguitte, S, Bianconi, Francesco, Busilacchio, M, Dari-Salisburgo, C, Di Carlo, P, Forster, Grant, Giammaria, F, Jones, RL, Lee, J, Moller, S, Ouyang, B, Reeves, Claire, Visconti, G   +13 more
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Free radical OH, a molecule of astrophysical and aeronomic interest [PDF]

The chemistry and physics of the gaseous OH free radical as it applies to interstellar space, planetary atmospheres, and the sun is presented. Topics considered are: (1) rotational-vibrational transitions; (2) dissociation and ionization processes; (3 ...
Mohan, H., SHARDANAND
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New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals [PDF]

, 2014
We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals.
Chen, Peter, Couzijn, Erik P. A., Reiher, Markus, Weymuth, Thomas   +3 more
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Galaxy QCxMS for straightforward semi-empirical quantum mechanical EI-MS prediction

GigaByte
High-performance computing (HPC) environments are crucial for computational research, including quantum chemistry (QC), but pose challenges for non-expert users.
Wudmir Y. Rojas , Zargham Ahmad , Julia Jakiela , Helge Hecht , Jana Klánová , Elliott J. Price   +5 more
doaj   +1 more source

Computational fluid dynamics and aerothermodynamics [PDF]

At the present time the efforts on this project are organized into two areas: the development of an approximate stagnation point solution and approximate flowfield studies which can be used to develop and investigate shock jump, electron temperature ...
Carlson, Leland A.
core   +1 more source

Laboratory photo-chemistry of covalently bonded fluorene clusters: observation of an interesting PAH bowl-forming mechanism

, 2019
The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH) molecules. In
Chen, Tao, Linnartz, Harold, Si, Yubing, Tielens, Alexander G. G. M., Zhang, Weiwei, Zhen, Junfeng   +5 more
core   +1 more source

Exploring atmospheres of hot mini-Neptunes and extrasolar giant planets orbiting different stars with application to HD 97658b, WASP-12b, CoRoT-2b, XO-1b and HD 189733b

, 2013
We calculated an atmospheric grid for hot mini-Neptune and giant exoplanets, that links astrophysical observable parameters- orbital distance and stellar type- with the chemical atmospheric species expected.
Kaltenegger, Lisa, Miguel, Yamila
core   +1 more source

Conserved Vibrational Coherence in the Ultrafast Rearrangement of 2-Nitrotoluene Radical Cation [PDF]

, 2019
2-Nitrotoluene (2-NT) is a good model for both photolabile protecting groups for organic synthesis and the military explosive 2,4,6-trinitrotoluene (TNT).
Ampadu Boateng, Derrick, Gutsev, Lavrenty, Jena, Puru, Tibbetts, Katharine M, Word, Mi\u27Kayla D   +4 more
core   +3 more sources

Professor Stefan ERNST

Archives of Acoustics, 2015
It is with great sadness that we inform our readers about the recent death of Professor Stefan Ernst. Stefan Ernst was born in Piaśniki, Upper Silesia, on November 03, 1934, to parents of Polish-German descent. His primary education started during the
Mirosław CHORAZEWSKI
doaj   +1 more source