Výsledky vyhledávání - "J. M. Anglada"

The Reaction of CH2(X3B1) with O2(X3): A Theoretical CASSCF/CASPT2 Investigation

Autor: Bo-Zhen Chen, J. M. Anglada, Ming-Bao Huang, F. Kong

Publikováno v: The Journal of Physical Chemistry A. 106:1877-1884

The reaction between CH 2 (X 3 B 1 ) + O 2 in the gas phase was investigated by carrying out CASSCF and CASPT2 calculations with the 6-31G(d,p) and 6-311+G(3df,2p) basis sets. The reaction proceeds by the addition of O 2 tomethylene and may follow a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d4ce7d33ce978996f2a455f716531c95
https://doi.org/10.1021/jp014319x

Zobrazit plný text záznamu

Reproducibility of lateral excursive tooth contact in a semi-adjustable articulator depending on the type of lateral guidance

Autor: Jordi Samsó, A. J. Caro, Maria Peraire, J. M. Anglada, Jordi Martinez-Gomis

Publikováno v: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de la UB
Universidad de Barcelona

summary The purposes of this study were (i) to compare the reproducibility of lateral tooth contacts of casts mounted in a semi-adjustable articulator when condylar guidance was set by different methods and (ii) to assess the margin of error of the v

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f91efaef08bd81e94aa3f4e48c6f6a98
http://hdl.handle.net/2445/110543

Zobrazit plný text záznamu

Tropospheric formation of hydroxymethyl hydroperoxide, formic acid, H2O2, and OH from carbonyl oxide in the presence of water vapor: a theoretical study of the reaction mechanism

Autor: R, Crehuet, J M, Anglada, J M, Bofill

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 7(10)

We have carried out a theoretical investigation of the gas-phase reaction mechanism of the H2COO+ H2O reaction, which is interesting for atmospheric purposes. The B3LYP method with the 6-31G(d,p) and 6-311 + G(2d,2p) basis sets was employed for the g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::52f527ea74721238512421465c8d66ac
https://pubmed.ncbi.nlm.nih.gov/11411994

Zobrazit plný text záznamu

Quantum Chemical Reactivity: Beyond the Study of Small Molecules

Autor: R. Crehuet, J. M. Anglada, E. Besalú, Josep Maria Bofill

Publikováno v: Mathematical and Computational Chemistry ISBN: 9781441933447

It is well known the paramount importance attached to the quantum mechanical methods related to the transition states (TS) or minimal energy surfaces localisation. In this field, many efforts are done to apply such techniques to medium, and large, si

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::dc4ef3ee3ed983573e08ffdb16674c04
https://doi.org/10.1007/978-1-4757-3273-3_9

Zobrazit plný text záznamu

Limitations in the use of attachments in a Mediterranean population

Autor: M, Peraire, O, Rustullet, J M, Anglada, J, Salsench, J A, Gil

Publikováno v: Quintessence international (Berlin, Germany : 1985). 27(7)

It has been asserted that the average height of natural teeth in Mediterranean Latin populations is relatively short and that these teeth are of insufficient size to host standard attachments manufactured by different companies. The occlusogingival h

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::6e1e97aa8be93ad7154370155d786281
https://pubmed.ncbi.nlm.nih.gov/8941823

Zobrazit plný text záznamu

Akademický článek

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexesElectronic supplementary information (ESI) available: Tables S1–S2 with the harmonic and harmonic vibrational frequencies calculated at B3LYP6-311G2d,2p, MP26-311G2d,2p, and M052X6-311G2d,2p levels for the OOH, HCOOH, and C1systems. Tables S3–S6 with the harmonic and anharmonic vibrational frequencies and intensities calculated at B3LYP using the 6-31Gd,p and 6-311G2d,2p for the 4 complexes studied are reported with the Cartesian coordinates of all studied structures in this paper. See DOI: 10.1039/b904736k

Autor: M. Torrent-Sucarrat, J. M. Anglada, J. M. Luis

Publikováno v: Physical Chemistry Chemical Physics (PCCP); Aug2009, Vol. 11 Issue 30, p6377-6388, 12p

Zobrazit plný text záznamu

Akademický článek

On the Gas Phase Hydrogen Bond Complexes between Formic Acid and Hydroperoxyl Radical. A Theoretical Study.

Autor: M. Torrent-Sucarrat, J. M. Anglada

Publikováno v: Journal of Physical Chemistry A; Aug2006, Vol. 110 Issue 31, p9718-9726, 9p

Zobrazit plný text záznamu

Akademický článek

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Vyhledávací nástroje:

Upřesnit hledání