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1

Spin-orbit coupling in O[sub 2](v)+O[sub 2] collisions. II. Quantum scattering calculations on dimer states involving the X [sup 3]Σ[sub g][sup −], a [sup 1]Δ[sub g], and b [sup 1]Σ[sub g][sup +] states of O[sub 2]

Dayou, Fabrice, Hernández, Marta I., Campos-Martínez, José, Hernández-Lamoneda, Ramón

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1010 KB

english, 2007

2

Global ab initio potential energy surfaces for the O[sub 2]([sup 3]Σ[sub g][sup −])+O[sub 2]([sup 3]Σ[sub g][sup −]) interaction

Bartolomei, Massimiliano, Carmona-Novillo, Estela, Hernández, Marta I., Campos-Martínez, José, Hernández-Lamoneda, Ramón

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 521 KB

english, 2010

3

Spin–orbit coupling in O[sub 2](v)+O[sub 2] collisions: A new energy transfer mechanism

Dayou, Fabrice, Campos-Martı́nez, José, Hernández, Marta I., Hernández-Lamoneda, Ramón

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 363 KB

english, 2004

4

NeCl 2 and ArCl 2 : Transition from Direct Vibrational Predissociation to Intramolecular Vibrational Relaxation and Electronic Nonadiabatic Effects †

Bieler, Craig R., Janda, Kenneth C., Hernández-Lamoneda, Ramón, Roncero, Octavio

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.64 MB

english, 2010

5

Large Shift and Small Broadening of Br 2 Valence Band upon Dimer Formation with H 2 O: An Ab Initio Study

Franklin-Mergarejo, Ricardo, Rubayo-Soneira, Jesus, Halberstadt, Nadine, Ayed, Tahra, Bernal-Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

6

Communications: A model study on the electronic predissociation of the NeBr[sub 2] van der Waals complex

Sanz-Sanz, Cristina, Roncero, Octavio, Hernández-Lamoneda, Ramón, Pio, Jordan M., Taylor, Molly A., Janda, Kenneth C.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 215 KB

english, 2010

7

Systematic ab initio calculations on the energetics and stability of covalent O[sub 4]

Hernández-Lamoneda, Ramón, Ramı́rez-Solı́s, Alejandro

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 365 KB

english, 2004

8

Ab initio rovibrational structure of the lowest singlet state of O2-O2

Carmona-Novillo, Estela, Bartolomei, Massimiliano, Hernández, Marta I., Campos-Martínez, José, Hernández-Lamoneda, Ramón

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.77 MB

english, 2012

9

Interaction of NO(A [sup 2]Σ[sup +]) with rare gas atoms: Potential energy surfaces and spectroscopy

Kłos, Jacek, Alexander, Millard H., Hernández-Lamoneda, Ramón, Wright, Timothy G.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 757 KB

english, 2008

10

An ab Initio Calculation of the Valence Excitation Spectrum of H 2 O···Cl 2 : Comparison to Condensed Phase Spectra †

Franklin-Mergarejo, Ricardo, Rubayo-Soneira, Jesus, Halberstadt, Nadine, Ayed, Tahra, Bernal Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 860 KB

english, 2009

11

Quantum-Mechanical Study of the Collision Dynamics of O 2 ( 3 Σ g− ) + O 2 ( 3 Σ g− ) on a New ab Initio Potential Energy Surface †

Pérez-Ríos, Jesús, Bartolomei, Massimiliano, Campos-Martínez, José, Hernández, Marta I., Hernández-Lamoneda, Ramón

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.37 MB

english, 2009

12

On the Unusual Properties of Halogen Bonds: A Detailed ab Initio Study of X 2 −(H 2 O) 1−5 clusters (X = Cl and Br)

Bernal-Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.35 MB

english, 2009

13

On the Local Relaxation of Solid Neon upon Rydberg Excitation of a NO Impurity: The Role of the NO(A)−Ne Interaction Potential and Zero-Point Quantum Delocalization †

Pajón-Suárez, Pedro, Rojas-Lorenzo, Germán A., Rubayo-Soneira, Jesús, Hernández-Lamoneda, Ramón, Larrégaray, Pascal

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 375 KB

english, 2009

14

Spin-orbit coupling in O[sub 2](υ)+O[sub 2] collisions: I. Electronic structure calculations on dimer states involving the X [sup 3]Σ[sub g][sup −], a [sup 1]Δ[sub g], and b [sup 1]Σ[sub g][sup +] states of O[sub 2]

Dayou, Fabrice, Hernández, Marta I., Campos-Martínez, José, Hernández-Lamoneda, Ramón

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 581 KB

english, 2005

15

Electronic excited-state mixing in NeCl[sub 2]

Hernández-Lamoneda, Ramón, Janda, Kenneth C.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 313 KB

english, 2005

16

A New ab Initio Potential Energy Surface for Studying Vibrational Relaxation in NO( v ) + NO Collisions

Pajón-Suárez, Pedro, Rubayo-Soneira, Jesús, Hernández-Lamoneda, Ramón

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.00 MB

english, 2011

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