Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Carlos Manzanares I"'
Publikováno v:
Theoretical Chemistry Accounts. 115:246-252
In this contribution, ab initio methods have been used to study the open-shell CO+–He van der Waals (vdW) complex in both the ground and the first Π excited electronic state. Calculations were performed at the UCCSD(T) level of theory in the frame
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d00c6189e973eb26022a4692214b3d9f
https://doi.org/10.1007/s00214-005-0009-9
https://doi.org/10.1007/s00214-005-0009-9
Autor:
Carlos Manzanares I, Charles Leduc, Xiaochuan Li, Dovie Reynolds, David L. Cedeño, Ernest K. Lewis, Geraud de Villele
Publikováno v:
Chemical Physics Letters. 334:357-364
Author Institution: Department of Chemistry and Biochemistry, Baylor University; Department of Chemistry, Simon Bolivar University
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eeaa389d19d473df8d626f6f0b806f64
https://doi.org/10.1016/s0009-2614(00)01466-4
https://doi.org/10.1016/s0009-2614(00)01466-4
Publikováno v:
International Journal of Mass Spectrometry. 197:71-84
Pulsed capacitor discharge ionization in supersonic expansions was investigated for the production of intense beams of molecular cluster ions from seeded and ablated compounds. A pulsed discharge based on a triggered spark gap switch was designed and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c49e639ca29dbf1b3e5dee06c853a1bc
https://doi.org/10.1016/s1387-3806(99)00168-2
https://doi.org/10.1016/s1387-3806(99)00168-2
Publikováno v:
Molecular Physics. 96:1745-1755
The spectra of fluoroform (CF3H) in the solvents Ar, N2, and Xe have been obtained in the fundamental region (400–4000cm−1) using a low temperature cryostat and a Fourier transform infrared spectrophotometer. Ab initio calculations at the HF/6-31
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c97857bcb53112ff86acc5b7c4229095
https://doi.org/10.1080/00268979909483118
https://doi.org/10.1080/00268979909483118
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 54:419-437
The infrared spectra of meso-2,4-dichloropentane and racemic-2,4-dichloropentane dissolved in liquid xenon have been obtained at 170 K in the range 400–4000 cm−1. The absorptions were observed with a low-temperature cell and a Fourier transform i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c49977ee4c95974eee1e4b81473c28cd
https://doi.org/10.1016/s1386-1425(97)00255-2
https://doi.org/10.1016/s1386-1425(97)00255-2
Publikováno v:
The Journal of Chemical Physics. 99:9412-9419
Visible laser photoacoustic and near‐IR spectra of the overtones of the C–H stretches of (CH3)3B in the gas phase are reported. Two bands are assigned to nonequivalent methyl C–H bonds. The interaction of an empty 2p orbital of the boron atom w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::602f314deffd03fdc0c7546e648180cd
https://doi.org/10.1063/1.465475
https://doi.org/10.1063/1.465475
Autor:
Carlos Manzanares I., George E. Ewing
Publikováno v:
The Journal of Chemical Physics. 69:1418-1424
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::faa20671b88ca55d663aa906cf6be5ad
https://doi.org/10.1063/1.436754
https://doi.org/10.1063/1.436754
Autor:
Carlos Manzanares I, Vinicio Revelant
Publikováno v:
Chemical Physics. 69:473-480
Modified equations of the SSH method have been used to calculate the vibrational energy exchange of two systems: (1) the probabilities of energy transfer between CO and isotopes of N 2 below 300 K and (2) the probabilities and rate constants for the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::367f2dd6e19df0850b5f24c61ff095a9
https://doi.org/10.1016/0301-0104(82)88084-1
https://doi.org/10.1016/0301-0104(82)88084-1
Publikováno v:
The Journal of Physical Chemistry. 91:3959-3969
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a49dca6d62e8fd0957c3370186b089b7
https://doi.org/10.1021/j100299a009
https://doi.org/10.1021/j100299a009
Publikováno v:
Inorganica Chimica Acta. 98:L43-L45
Synthese a partir de melanges gazeux de diborane et ethylene. Un laser a CO 2 est utilise pour initier l'explosion thermique
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cdd44f480937d62842912eee3d13cdbc
https://doi.org/10.1016/s0020-1693(00)84911-7
https://doi.org/10.1016/s0020-1693(00)84911-7