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pro vyhledávání: '"M.C. Piqueras"'
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Publikováno v:
Acta Ophthalmologica. 95
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba40facbe417010bf897b50a14d8d96d
https://doi.org/10.1111/j.1755-3768.2017.0f083
https://doi.org/10.1111/j.1755-3768.2017.0f083
Publikováno v:
Acta Ophthalmologica. 95
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33f0148403da2d4747a3c7ecabfb523c
https://doi.org/10.1111/j.1755-3768.2017.04432
https://doi.org/10.1111/j.1755-3768.2017.04432
Autor:
Tomohiro Ito, M.C. Piqueras, Ranga Subramanian, Michaeleen R. Munrow, Matthew K. MacLeod, Stewart E. Novick, Mitsuaki Izuha, Andrea J. Minei, R. Crespo, Kenji Yamanou, Dean Antic, Josef Michl, Teruhiko Ogata, Yoshio Tatamitani
Publikováno v:
Journal of Molecular Spectroscopy. 242:129-138
The microwave spectra of the gauche conformer of perfluoro- n -butane, n -C 4 F 10 , of perfluoro- iso -butane, (CF 3 ) 3 CF, and of tris(trifluoromethyl)methane, (CF 3 ) 3 CH, have been observed and assigned. The rotational and centrifugal distortio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3413c43e4defe68ff05974c687ea226d
https://doi.org/10.1016/j.jms.2007.02.021
https://doi.org/10.1016/j.jms.2007.02.021
Publikováno v:
Theoretical Chemistry Accounts. 118:81-87
We present a multistate complete active space second-order perturbation theory (MS-CASPT2) study of the low-lying valence excited states of a peralkylated tetrasilacyclopentane, c-(CH2Si4Me8) (1). The lowest-lying calculated valence excited states ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ef494e66c36c93e8403acc42b9e7a19
https://doi.org/10.1007/s00214-007-0246-1
https://doi.org/10.1007/s00214-007-0246-1
Publikováno v:
The Journal of Physical Chemistry A. 107:4661-4668
Multistate complete active space second-order perturbation theory (MS-CASPT2) is used to improve earlier descriptions of the low-energy valence excited states of the transoid, ortho, and gauche conformers of decamethyl-n-tetrasilane, n-Si4Me10, using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0db18f5da575d0d56d9e867ded2f2ad4
https://doi.org/10.1021/jp022675p
https://doi.org/10.1021/jp022675p
Publikováno v:
The Journal of Physical Chemistry A. 106:9868-9873
A theoretical analysis and interpretation of the reported UV absorption spectra of the anti and gauche conformers of n-tetrasilane is offered, based on the results of multistate complete active spa...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11ccbdb5d2e680ba0285076a8aea0ca8
https://doi.org/10.1021/jp020460+
https://doi.org/10.1021/jp020460+
Publikováno v:
Molecular Physics. 100:747-756
The low-lying singlet excited states of trisilane have been computed using the complete active space self-consistent field (CASSCF) method, second-order perturbation theory (CASPT2), and the extended multistate CASPT2 (MS-CASPT2) approach, and a gene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4430ad2ffc72bcade485ccc327dfd6e6
https://doi.org/10.1080/00268970110095147
https://doi.org/10.1080/00268970110095147
Autor:
M.C. Piqueras, Carl F. Melius
Publikováno v:
Proceedings of the Combustion Institute. 29:2863-2871
Understanding the reaction mechanisms for the decomposition of NO2-containing energetic materialsin the condensed phase is critical to our development of detailed kinetic models of these energetic materials in propellant combustion. To date, the reac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58a32e631c00ebc62255f95254cc7d29
https://doi.org/10.1016/s1540-7489(02)80350-9
https://doi.org/10.1016/s1540-7489(02)80350-9
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 537:199-212
The radical addition of hydroxyl radical to ethene has been investigated using ab initio methods and density functional theory. The structure and energetics of reactants, prereaction complex, transition state structure and radical product have been o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::775bbc75fc9837ca5fc2396b1284af80
https://doi.org/10.1016/s0166-1280(00)00677-1
https://doi.org/10.1016/s0166-1280(00)00677-1