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Valdés, Álvaro, Barragán, Patricia, de Tudela, Ricardo Pérez, Delgado-Tellez, Laura, Medina, Juan S., Prosmiti, Rita (2012) A theoretical characterization of multiple isomers of the He2I2 complex. Chemical Physics, 399. 39-45 doi:10.1016/j.chemphys.2011.06.007

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Reference TypeJournal (article/letter/editorial)
TitleA theoretical characterization of multiple isomers of the He2I2 complex
JournalChemical Physics
AuthorsValdés, ÁlvaroAuthor
Barragán, PatriciaAuthor
de Tudela, Ricardo PérezAuthor
Delgado-Tellez, LauraAuthor
Medina, Juan S.Author
Prosmiti, RitaAuthor
Year2012 (May)Volume399
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.06.007Search in ResearchGate
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Mindat Ref. ID5962945Long-form Identifiermindat:1:5:5962945:4
GUID0
Full ReferenceValdés, Álvaro, Barragán, Patricia, de Tudela, Ricardo Pérez, Delgado-Tellez, Laura, Medina, Juan S., Prosmiti, Rita (2012) A theoretical characterization of multiple isomers of the He2I2 complex. Chemical Physics, 399. 39-45 doi:10.1016/j.chemphys.2011.06.007
Plain TextValdés, Álvaro, Barragán, Patricia, de Tudela, Ricardo Pérez, Delgado-Tellez, Laura, Medina, Juan S., Prosmiti, Rita (2012) A theoretical characterization of multiple isomers of the He2I2 complex. Chemical Physics, 399. 39-45 doi:10.1016/j.chemphys.2011.06.007
In(n.d.) Chemical Physics Vol. 399. Elsevier BV

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Pérez de Tudela, Ricardo, Barragán, Patricia, Valdés, Álvaro, Prosmiti, Rita (2014) Energetics and Solvation Structure of a Dihalogen Dopant (I2) in 4He Clusters. The Journal of Physical Chemistry A, 118 (33). 6492-6500 doi:10.1021/jp502994g
Delgado-Tellez, Laura, Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo (2011) Ab initio characterization of the Ne–I2 van der Waals complex: Intermolecular potentials and vibrational bound states. The Journal of Chemical Physics, 134 (21). 214304pp. doi:10.1063/1.3596604
Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo (2012) Theoretical Investigation of the He4Br2Conformers. The Journal of Physical Chemistry A, 116 (26). 7169-7176 doi:10.1021/jp3026682
Prosmiti, Rita, García-Gutierrez, Leonor, Delgado-Tellez, Laura, Valdés, Álvaro, Villarreal, Pablo, Delgado-Barrio, Gerardo (2009) Ab initiointeraction potentials for X and B excited states of He–I2for studying dynamics. Journal of Physics: Conference Series, 194. 122001pp. doi:10.1088/1742-6596/194/12/122001
Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo (2006) A theoretical study of He2ICl van der Waals cluster. The Journal of Chemical Physics, 125 (1). 14313pp. doi:10.1063/1.2208614
Barragán, Patricia, Pérez de Tudela, Ricardo, Qu, Chen, Prosmiti, Rita, Bowman, Joel M. (2013) Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H7+/D7+ clusters using an ab initio potential energy surface. The Journal of Chemical Physics, 139 (2). 24308pp. doi:10.1063/1.4812557
Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo (2011) Theoretical characterization of intermolecular vibrational states through the multi-configuration time dependent Hartree approach: The He2,3ICl clusters. The Journal of Chemical Physics, 135 (24). 244309pp. doi:10.1063/1.3671611
Valdés, Álvaro, Prosmiti, Rita, Delgado-Barrio, Gerardo (2012) Vibrational dynamics of the H5+ and its isotopologues from multiconfiguration time-dependent Hartree calculations. The Journal of Chemical Physics, 137 (21). 214308pp. doi:10.1063/1.4769081
Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo, Lemoine, Didier, Lepetit, Bruno (2007) Ab initiovibrational predissociation dynamics of He–I2(B) complex. The Journal of Chemical Physics, 126 (24). 244314pp. doi:10.1063/1.2748404
Valdés, Álvaro, Prosmiti, Rita, Delgado-Barrio, Gerardo (2012) Quantum-dynamics study of the H5+ cluster: Full dimensional benchmark results on its vibrational states. The Journal of Chemical Physics, 136 (10). 104302pp. doi:10.1063/1.3691828
Valdés, Álvaro, Prosmiti, Rita, Villarreal, Pablo, Delgado-Barrio, Gerardo (2005) Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex. The Journal of Chemical Physics, 122 (4). 44305pp. doi:10.1063/1.1833352
 
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