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Article
Structures, energetics, and spectra of aqua-cesium (I) complexes: An ab initio and experimental studySCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 126, no. 7, 2007-02-21

Article
Structures, Energetics, and IR Spectra of Monohydrated Inorganic Acids: Ab initio and DFT StudySCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 7, no. 10, page. 3447 - 3459, 2011-10

Article
Cation-pi interactions: A theoretical investigation of the interaction of metallic and organic cations with alkenes, arenes, and heteroarenesSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 107, no. 8, page. 1228 - 1238, 2003-02-27

Article
Charge-transfer-to-solvent-driven dissolution dynamics of I-(H2O)(2-5) upon excitation: Excited-state ab initio molecular dynamics SimulationsSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 130, no. 1, page. 103 - 112, 2008-01-09

Article
Eigen and Zundel forms of small protonated water clusters: Structures and infrared spectraSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, no. 42, page. 10692 - 10702, 2007-10-25

Article
Complete basis set limit of ab initio binding energies and geometrical parameters for various typical types of complexesSCIESCOPUS

JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 29, no. 8, page. 1208 - 1221, 2008-06

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