Zobrazeno 1 - 10
of 82
pro vyhledávání: '"E. Verdasco"'
Publikováno v:
The Journal of Physical Chemistry A. 124:6445-6457
In this paper, we report a quasi-classical trajectory study of the internal energy state specificity of dissociative O2 + N2 collision rates computed at high temperatures on an accurate potential energy surface (PES). This paper analyzes the outcomes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08321a544b1cff66a1e8df8ab91fd2d2
https://doi.org/10.1021/acs.jpca.0c04937
https://doi.org/10.1021/acs.jpca.0c04937
Akademický článek
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Autor:
Yury V. Suleimanov, Alexandre Zanchet, F. J. Aoiz, Pablo G. Jambrina, E. Verdasco, M. Menéndez
Publikováno v:
The Journal of Physical Chemistry A. 123:7920-7931
In the past decade, ring polymer molecular dynamics (RPMD) has emerged as a very efficient method to determine thermal rate coefficients for a great variety of chemical reactions. This work presents the application of this methodology to study the O(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::939873b363d839ed85d1cee64c9ac8d3
https://doi.org/10.1021/acs.jpca.9b06695
https://doi.org/10.1021/acs.jpca.9b06695
Autor:
J. R. Goicoechea, E. Verdasco, Pablo G. Jambrina, Alexander Zanchet, F. J. Aoiz, Marcelino Agúndez, M. Menéndez, A. Veselinova
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Astron Astrophys
instname
Astron Astrophys
13 pags., 3 figs., 1 tab.
The reaction between atomic oxygen and molecular hydrogen is an important one in astrochemistry as it regulates the abundance of the hydroxyl radical and serves to open the chemistry of oxygen in diverse astronomical en
The reaction between atomic oxygen and molecular hydrogen is an important one in astrochemistry as it regulates the abundance of the hydroxyl radical and serves to open the chemistry of oxygen in diverse astronomical en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ae7a8d07910785d67e2f82785077a02
http://hdl.handle.net/10261/257940
http://hdl.handle.net/10261/257940
Publikováno v:
The journal of physical chemistry. A. 124(32)
In this paper, we report a quasi-classical trajectory study of the internal energy state specificity of dissociative O
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::dd2a70456194118f96bfda56793d4a2b
https://pubmed.ncbi.nlm.nih.gov/32666800
https://pubmed.ncbi.nlm.nih.gov/32666800
Publikováno v:
The journal of physical chemistry. A. 123(37)
In the past decade, ring polymer molecular dynamics (RPMD) has emerged as a very efficient method to determine thermal rate coefficients for a great variety of chemical reactions. This work presents the application of this methodology to study the O(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e33d624738bb31182e23e6964e08b9a4
https://pubmed.ncbi.nlm.nih.gov/31461272
https://pubmed.ncbi.nlm.nih.gov/31461272
Photodissociation Dynamics of Dimethyl Sulfide Following Excitation within the First Absorption Band
Publikováno v:
The Journal of Physical Chemistry A. 108:7936-7948
The technique of resonance-enhanced multiphoton ionization with time-of-flight mass spectrometry (REMPI-TOF MS) has been used to study the photodissociation of fully deuterated dimethyl sulfide (CD3SCD3) following excitation at several wavelengths wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0ba802e5bf394c441063a7441c354d1a
https://doi.org/10.1021/jp049344s
https://doi.org/10.1021/jp049344s
Autor:
Isabel Tanarro, M. Menéndez, Pablo J. Quintana, Luis Bañares, E. Verdasco, Víctor J. Herrero, F. J. Aoiz, Bruno Martínez-Haya
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
19 pags. 3 figs.
The rotational relaxation of N2 in collisions with He has been investigated in free jets with a combination of resonance-enhanced-multiphoton ionization spectroscopy and time-of-flight techniques. From the measured data, a globa
The rotational relaxation of N2 in collisions with He has been investigated in free jets with a combination of resonance-enhanced-multiphoton ionization spectroscopy and time-of-flight techniques. From the measured data, a globa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9935e2d4ef558a739dde9960137b6d1d
https://doi.org/10.1016/s0009-2614(02)01761-x
https://doi.org/10.1016/s0009-2614(02)01761-x
Autor:
Pablo J. Quintana, Ralph F. Delmdahl, David H. Parker, F. J. Aoiz, Luis Bañares, E. Verdasco, Bruno Martínez-Haya
Publikováno v:
Chemical Physics Letters. 325:146-152
The photodissociation of dimethyl sulfide (CH 3 SCH 3 ) at 229 nm has been studied employing a combination of velocity map imaging and time-of-flight resonance-enhanced multiphoton ionization techniques to detect the CH 3 products. Translational ener
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b8b6fb741003b56197fb8392c7e9268
https://doi.org/10.1016/s0009-2614(00)00697-7
https://doi.org/10.1016/s0009-2614(00)00697-7
Autor:
María Luz Hernández, Teresa de la Villa Martínez, Antonio Laganà, José M. Alvariño, F. J. Aoiz, M. Menéndez, E. Verdasco
Publikováno v:
Physical Chemistry Chemical Physics. 2:589-597
The CASSCF (complete active space self-consistent field) and MRCI (multi-reference configuration interaction) ab initio points of Hernandez et al. (J. Chem. Phys., 1996, 105, 2710) have been supplemented with new calculations of the same level of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13edbc47063e82e390f895925758725e
https://doi.org/10.1039/a908306e
https://doi.org/10.1039/a908306e