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Article
Structures, energetics, vibrational spectra of NH4+(H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulationsSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 128, no. 24, 2008-06-28

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
Ab initio study of hydrated sodium halides NaX(H2O)(1-6) (X=F, Cl, Br, and I)SCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 124, no. 2, 2006-01-14

Article
Hydrated hydride anion clustersSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 127, no. 16, 2007-10-28

Article
Hydrogen detachment of the hydrated hydrohalogen acids upon attaching an excess electronSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 128, no. 10, 2008-03-14

Article
Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001)SCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 124, no. 2, 2006-01-14

Article
Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: Absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamicsSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 135, no. 24, page. 244112 - 244112, 2011-12-28

Article
Electron pair density in the lowest (1)Sigma(+)(u) and (1)Sigma(+)(g) states of H(2)SCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 135, no. 7, page. 74111 - 74111, 2011-08-21

Article
Antiferromagnetic spin ordering in the dissociative adsorption of H-2 on Si(001): Density-functional calculationsSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 131, no. 24, page. 244704, 2009-12-28

Article
Counterintuitive Coulomb hole around the bond midplaneSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 132, no. 20, page. 204102, 2010-05-28

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