Pablo Gamallo
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Explore the profile of Pablo Gamallo including associated specialties, affiliations and a list of published articles.
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Articles
39
Citations
187
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Recent Articles
21.
Gamallo P, Defazio P, Gonzalez M, Paniagua M, Petrongolo C
Phys Chem Chem Phys
. 2015 Aug;
17(36):23392-402.
PMID: 26289380
We present Born-Oppenheimer (BO) and Renner-Teller (RT) time dependent quantum dynamics studies of the reactions O((3)P) + H2(+)(X(2)Σg(+)) → OH(+)(X(3)Σ(-)) + H((2)S) and OH(X(2)Π) + H(+). We consider the OH2(+)...
22.
Paniagua M, Martinez R, Gamallo P, Gonzalez M
Phys Chem Chem Phys
. 2014 Aug;
16(43):23594-603.
PMID: 25127319
The rate constants (k; T: 200-900 K) and cross-sections (σ; Ecol: 0.010-0.50 eV) of the O + H2(+)→ OH(+) + H (1), OH + H(+) (2) reactions, which occur on...
23.
Gamallo P, Akpinar S, Defazio P, Petrongolo C
J Phys Chem A
. 2014 Apr;
118(33):6451-6.
PMID: 24738984
We present the adiabatic quantum dynamics of the proton-transfer reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) on the HeH2(+) X̃(2)Σ(+) RMRCI6 (M = 6) PES of C. N. Ramachandran...
24.
Gamallo P, Prats H, Sayos R
J Mol Model
. 2014 Mar;
20(4):2160.
PMID: 24633769
A quasiclassical trajectory dynamics study was performed for carbon monoxide collisions over an oxygen preadsorbed β-cristobalite (001) surface. A reactive molecular force field (ReaxFF) was used to model the potential...
25.
Gamallo P, Martinez R, Sierra J, Gonzalez M
Phys Chem Chem Phys
. 2014 Mar;
16(14):6641-8.
PMID: 24577045
The dependence of the cross section (σ) of the Ne + H2(+)→ NeH(+) + H proton transfer reaction on the vibrational excitation of H2(+), v = 0-17 and j =...
26.
Gamallo P, Akpinar S, Defazio P, Petrongolo C
J Chem Phys
. 2013 Sep;
139(9):094303.
PMID: 24028113
We present the conical-intersection quantum dynamics of the nonreactive quenching (NQ) OH(A(2)Σ(+)) + H'((2)S) → OH(X(2)Π) + H'((2)S), exchange (X) OH(A(2)Σ(+)) + H'((2)S) → OH'(A(2)Σ(+)) + H((2)S), exchange-quenching (XQ) OH(A(2)Σ(+))...
27.
Gamallo P, Huarte-Larranaga F, Gonzalez M
J Phys Chem A
. 2013 Jun;
117(26):5393-400.
PMID: 23746307
We investigated the oscillations found in the integral cross section of the title reaction, which are particularly evident for Ne + H2(+)(v0 = 2,j0 = 1) [essentially isoenergetic with NeH(+)(v'...
28.
Gamallo P, Francia R, Martinez R, Sayos R, Gonzalez M
J Phys Chem A
. 2012 Nov;
116(48):11783-95.
PMID: 23131012
The dynamics and kinetics of the O((3)P) + CS(X(1)Σ(+)) → CO(X(1)Σ(+)) + S((3)P) chemical laser reaction was studied theoretically in detail for the first time, as a function of collision...
29.
Defazio P, Gamallo P, Petrongolo C
J Chem Phys
. 2012 Feb;
136(5):054308.
PMID: 22320743
We present the spin-orbit (SO) and Renner-Teller (RT) quantum dynamics of the spin-forbidden quenching O((1)D) + N(2)(X(1)Σ(g)(+)) → O((3)P) + N(2)(X(1)Σ(g)(+)) on the N(2)O X(1)A', ã(3)A", and b(3)A' coupled PESs....
30.
Moron V, Gamallo P, Martin-Gondre L, Crespos C, Larregaray P, Sayos R
Phys Chem Chem Phys
. 2011 Sep;
13(39):17494-504.
PMID: 21947278
A microkinetic model is developed to study the reactivity of an O/O(2) gas mixture over a β-cristobalite (001) surface. The thermal rate constants for the relevant elementary processes are either...