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Items: 30

1.

Gametocytes from K13 Propeller Mutant Plasmodium falciparum Clinical Isolates Demonstrate Reduced Susceptibility to Dihydroartemisinin in the Male Gamete Exflagellation Inhibition Assay.

Lozano S, Gamallo P, González-Cortés C, Presa Matilla JL, Fairhurst RM, Herreros E, Amaratunga C, Rodrigues J.

Antimicrob Agents Chemother. 2018 Nov 26;62(12). pii: e01426-18. doi: 10.1128/AAC.01426-18. Print 2018 Dec.

2.

A lexicon based method to search for extreme opinions.

Almatarneh S, Gamallo P.

PLoS One. 2018 May 25;13(5):e0197816. doi: 10.1371/journal.pone.0197816. eCollection 2018.

3.

Nonadiabatic Renner-Teller quantum dynamics of OH(X2Π) + H+ reactive collisions.

Gamallo P, Akpinar S, Defazio P, Petrongolo C.

Phys Chem Chem Phys. 2017 Feb 8;19(6):4454-4461. doi: 10.1039/c6cp07756k.

PMID:
28120967
4.

Dynamics of the O + H2+ → OH+ + H, OH + H+ proton and hydrogen atom transfer reactions on the two lowest potential energy surfaces.

Martínez R, Paniagua M, Mayneris-Perxachs J, Gamallo P, González M.

Phys Chem Chem Phys. 2017 Feb 1;19(5):3857-3868. doi: 10.1039/c6cp08538e.

PMID:
28102392
5.

Extraction and analysis of signatures from the Gene Expression Omnibus by the crowd.

Wang Z, Monteiro CD, Jagodnik KM, Fernandez NF, Gundersen GW, Rouillard AD, Jenkins SL, Feldmann AS, Hu KS, McDermott MG, Duan Q, Clark NR, Jones MR, Kou Y, Goff T, Woodland H, Amaral FMR, Szeto GL, Fuchs O, Schüssler-Fiorenza Rose SM, Sharma S, Schwartz U, Bausela XB, Szymkiewicz M, Maroulis V, Salykin A, Barra CM, Kruth CD, Bongio NJ, Mathur V, Todoric RD, Rubin UE, Malatras A, Fulp CT, Galindo JA, Motiejunaite R, Jüschke C, Dishuck PC, Lahl K, Jafari M, Aibar S, Zaravinos A, Steenhuizen LH, Allison LR, Gamallo P, de Andres Segura F, Dae Devlin T, Pérez-García V, Ma'ayan A.

Nat Commun. 2016 Sep 26;7:12846. doi: 10.1038/ncomms12846.

6.

Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case example.

Prats H, Gamallo P, Sayós R, Illas F.

Phys Chem Chem Phys. 2016 Jan 28;18(4):2792-801. doi: 10.1039/c5cp06863k.

PMID:
26727174
7.

Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.

Gamallo P, Akpinar S, Defazio P, Petrongolo C.

J Phys Chem A. 2015 Nov 19;119(46):11254-64. doi: 10.1021/acs.jpca.5b08891. Epub 2015 Nov 11.

PMID:
26522748
8.

Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.

Gamallo P, Defazio P, González M, Paniagua M, Petrongolo C.

Phys Chem Chem Phys. 2015 Sep 28;17(36):23392-402. doi: 10.1039/c5cp03451e. Epub 2015 Aug 20.

PMID:
26289380
9.

Potential energy surfaces and quasiclassical trajectory study of the O + H2(+)→ OH(+) + H, OH + H(+) proton and hydrogen atom transfer reactions and isotopic variants (D2(+), HD(+)).

Paniagua M, Martínez R, Gamallo P, González M.

Phys Chem Chem Phys. 2014 Nov 21;16(43):23594-603. doi: 10.1039/c4cp02631d. Epub 2014 Aug 15.

PMID:
25127319
10.
11.

ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface.

Gamallo P, Prats H, Sayós R.

J Mol Model. 2014 Apr;20(4):2160. doi: 10.1007/s00894-014-2160-5. Epub 2014 Mar 16.

PMID:
24633769
12.

Understanding the effect of vibrational excitation in reaction dynamics: the Ne + H2(+)(v = 0-17, j = 1) → NeH(+) + H, Ne + H(+) + H proton transfer and dissociation cross sections.

Gamallo P, Martínez R, Sierra JD, González M.

Phys Chem Chem Phys. 2014 Apr 14;16(14):6641-8. doi: 10.1039/c3cp55258f. Epub 2014 Feb 28.

PMID:
24577045
13.

Conical-intersection quantum dynamics of OH(A2Σ+) + H(2S) collisions.

Gamallo P, Akpinar S, Defazio P, Petrongolo C.

J Chem Phys. 2013 Sep 7;139(9):094303. doi: 10.1063/1.4819355.

PMID:
24028113
14.

Resonances in the Ne + H2(+) → NeH(+) + H proton-transfer reaction.

Gamallo P, Huarte-Larrañaga F, González M.

J Phys Chem A. 2013 Jul 3;117(26):5393-400. doi: 10.1021/jp402400g. Epub 2013 Jun 24.

PMID:
23746307
15.

Theoretical study of the dynamics and kinetics of the O + CS → CO + S chemical laser reaction, where CO shows a very high vibrational excitation.

Gamallo P, Francia R, Martínez R, Sayós R, González M.

J Phys Chem A. 2012 Dec 6;116(48):11783-95. doi: 10.1021/jp306218z. Epub 2012 Nov 19.

PMID:
23131012
16.

Adiabatic quantum dynamics of CH(X2Π) + H(2S) reactions on the CH2(X̃3A″) surface and role of the excited electronic states.

Gamallo P, Defazio P, Akpinar S, Petrongolo C.

J Phys Chem A. 2012 Aug 16;116(32):8291-6. doi: 10.1021/jp304125m. Epub 2012 Aug 8.

PMID:
22817398
17.
18.

Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface.

Morón V, Gamallo P, Martin-Gondre L, Crespos C, Larregaray P, Sayós R.

Phys Chem Chem Phys. 2011 Oct 21;13(39):17494-504. doi: 10.1039/c1cp20828d. Epub 2011 Sep 22.

PMID:
21947278
19.
20.

Quantum dynamics of Renner-Teller and isotopic effects in NH(a1Δ) + D(2S) reactions.

Defazio P, Gamallo P, Akpinar S, Petrongolo C.

Phys Chem Chem Phys. 2011 May 14;13(18):8470-4. doi: 10.1039/c0cp02233k. Epub 2011 Mar 14.

PMID:
21399818
21.

Renner-Teller quantum dynamics of NH(a(1)Delta) + H reactions on the NH(2) A(2)A(1) and X(2)B(1) coupled surfaces.

Defazio P, Gamallo P, González M, Petrongolo C.

J Phys Chem A. 2010 Sep 16;114(36):9749-54. doi: 10.1021/jp102079n.

PMID:
20450162
22.

Quasiclassical dynamics and kinetics of the N+NO-->N(2)+O, NO+N atmospheric reactions.

Gamallo P, Martínez R, Sayós R, González M.

J Chem Phys. 2010 Apr 14;132(14):144304. doi: 10.1063/1.3364867.

PMID:
20405993
23.

Quantum dynamics of the C(1D)+HD and C(1D)+n-D2 reactions on the ã 1A' and b 1A" surfaces.

Defazio P, Gamallo P, González M, Akpinar S, Bussery-Honvault B, Honvault P, Petrongolo C.

J Chem Phys. 2010 Mar 14;132(10):104306. doi: 10.1063/1.3342061.

PMID:
20232959
24.

Born-Oppenheimer and Renner-Teller coupled-channel quantum dynamics of the N(2D) + HD reactions.

Gamallo P, Defazio P.

J Chem Phys. 2009 Jul 28;131(4):044320. doi: 10.1063/1.3190329.

PMID:
19655880
25.

Renner-Teller coupled-channel dynamics of the N(2D)+H2 reaction and the role of the NH2 A2A1 electronic state.

Gamallo P, Defazio P, González M, Petrongolo C.

J Chem Phys. 2008 Dec 28;129(24):244307. doi: 10.1063/1.3046882.

PMID:
19123507
26.

Quantum dynamics of NH(a(1)Delta)+H reactions on the NH(2) A (2)A(1) surface.

Akpinar S, Defazio P, Gamallo P, Petrongolo C.

J Chem Phys. 2008 Nov 7;129(17):174307. doi: 10.1063/1.3005653.

PMID:
19045347
27.

A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001).

Gamallo P, Sayós R.

Phys Chem Chem Phys. 2007 Oct 7;9(37):5112-20. Epub 2007 Jul 31.

PMID:
17878987
28.

Adsorption of atomic oxygen and nitrogen at beta-cristobalite (100): a density functional theory study.

Arasa C, Gamallo P, Sayós R.

J Phys Chem B. 2005 Aug 11;109(31):14954-64.

PMID:
16852894
30.

Product distributions, rate constants, and mechanisms of LiH+H reactions.

Defazio P, Petrongolo C, Gamallo P, González M.

J Chem Phys. 2005 Jun 1;122(21):214303.

PMID:
15974734

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