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Refinado por: assunto: Electronic Structure Of Atoms, Molecules And Their Ions: Theory remover
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ABC: a quantum reactive scattering program
ABC: a quantum reactive scattering program
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ABC: a quantum reactive scattering program

Skouteris, D. ; Castillo, J.F. ; Manolopoulos, D.E.

Computer physics communications, 2000-12, Vol.133 (1), p.128-135 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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2
Theoretical and Kinetic Study of the Hydrogen Atom Abstraction Reactions of Esters with HO2 Radicals
Theoretical and Kinetic Study of the Hydrogen Atom Abstraction Reactions of Esters with HO2 Radicals
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Theoretical and Kinetic Study of the Hydrogen Atom Abstraction Reactions of Esters with HO2 Radicals

MENDES, Jorge ; ZHOU, Chong-Wen ; CURRAN, Henry J

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (51), p.14006-14018 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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3
Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite
Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite
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Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite

Poovathingal, Savio ; Schwartzentruber, Thomas E. ; Srinivasan, Sriram Goverapet ; van Duin, Adri C. T.

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (13), p.2692-2703 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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4
Oxidation of CO and NO on Composition-Selected Cerium Oxide Cluster Cations
Oxidation of CO and NO on Composition-Selected Cerium Oxide Cluster Cations
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Oxidation of CO and NO on Composition-Selected Cerium Oxide Cluster Cations

Hirabayashi, Shinichi ; Ichihashi, Masahiko

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (37), p.9005-9010 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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5
Understanding Reactivity at Very Low Temperatures: The Reactions of Oxygen Atoms with Alkenes
Understanding Reactivity at Very Low Temperatures: The Reactions of Oxygen Atoms with Alkenes
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Understanding Reactivity at Very Low Temperatures: The Reactions of Oxygen Atoms with Alkenes

Sabbah, Hassan ; Biennier, Ludovic ; Sims, Ian R ; Georgievskii, Yuri ; Klippenstein, Stephen J ; Smith, Ian W.M

Science (American Association for the Advancement of Science), 2007-07, Vol.317 (5834), p.102-105 [Periódico revisado por pares]

Washington, DC: American Association for the Advancement of Science

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6
Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon
Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon
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Classical Trajectory Study of Energy Transfer in Collisions of Highly Excited Allyl Radical with Argon

Conte, Riccardo ; Houston, Paul L ; Bowman, Joel M

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (51), p.14028-14041 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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7
Experimental and Theoretical Study of the Reactions between MO2 – (M = Fe, Co, Ni, Cu, and Zn) Cluster Anions and Hydrogen Sulfide
Experimental and Theoretical Study of the Reactions between MO2 – (M = Fe, Co, Ni, Cu, and Zn) Cluster Anions and Hydrogen Sulfide
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Experimental and Theoretical Study of the Reactions between MO2 – (M = Fe, Co, Ni, Cu, and Zn) Cluster Anions and Hydrogen Sulfide

Jia, Mei-Ye ; Ding, Xun-Lei ; He, Sheng-Gui ; Ge, Mao-Fa

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (35), p.8377-8387 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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8
The electronic structure of the alkaline-earth-atom (Ca, Sr, Ba) hydride molecular ions
The electronic structure of the alkaline-earth-atom (Ca, Sr, Ba) hydride molecular ions
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The electronic structure of the alkaline-earth-atom (Ca, Sr, Ba) hydride molecular ions

Aymar, Mireille ; Dulieu, Olivier

Journal of physics. B, Atomic, molecular, and optical physics, 2012-11, Vol.45 (21), p.215103-1-11 [Periódico revisado por pares]

Bristol: IOP Publishing

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9
Ion-polycyclic aromatic hydrocarbon collisions: kinetic energy releases for specific fragmentation channels
Ion-polycyclic aromatic hydrocarbon collisions: kinetic energy releases for specific fragmentation channels
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Ion-polycyclic aromatic hydrocarbon collisions: kinetic energy releases for specific fragmentation channels

Reitsma, G ; Zettergren, H ; Boschman, L ; Bodewits, E ; Hoekstra, R ; Schlathölter, T

Journal of physics. B, Atomic, molecular, and optical physics, 2013-12, Vol.46 (24), p.245201-9 [Periódico revisado por pares]

Bristol: IOP Publishing

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10
Collision-Induced Dissociation and Infrared Photodissociation Studies of Methane Adsorption on V5O12 + and V5O13 + Clusters
Collision-Induced Dissociation and Infrared Photodissociation Studies of Methane Adsorption on V5O12 + and V5O13 + Clusters
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Collision-Induced Dissociation and Infrared Photodissociation Studies of Methane Adsorption on V5O12 + and V5O13 + Clusters

Xu, Bo ; Zhao, Yan-Xia ; Ding, Xun-Lei ; Liu, Qing-Yu ; He, Sheng-Gui

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (14), p.2961-2970 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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