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Article

Ab initio study of peroxyacetic nitric anhydride and peroxyacetyl radical: Characteristic infrared band of peroxyacetyl radicalSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 104, no. 12, page. 2613 - 2617, 2000-03-30

Article

Structure, Stability, Thermodynamic Properties, and Infrared Spectra of the Protonated Water Octamer H+(H2O)(8)SCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 112, no. 41, page. 10120 - 10124, 2008-10-16

Article

New quantum chemical parameter for the substituent effect in benzene based on charge fluxSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 107, no. 19, page. 3577 - 3579, 2003-05-15

Article

Insights into the nature of SiH4-BH3 complex: Theoretical investigation of new mechanistic pathways involving SiH3 center dot and BH4 center dot radicalsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 106, no. 29, page. 6817 - 6822, 2002-07-25

Article

Photoexcitation and photoionization dynamics of water photolysisSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 112, no. 24, page. 5502 - 5508, 2008-06-19

Article

Understanding of assembly phenomena by aromatic-aromatic interactions: Benzene dimer and the substituted systemsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, no. 18, page. 3446 - 3457, 2007-05-10

Article

Hydration phenomena of sodium and potassium hydroxides by water moleculesSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 110, no. 45, page. 12484 - 12493, 2006-11-16

Article

Hydration and dissociation of hydrogen fluoric acid (HF)SCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 110, no. 25, page. 7918 - 7924, 2006-06-29

Article

Ab initio molecular dynamics simulations of an excited state of X-(H2O)(3) (X = Cl, I) complexSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 109, no. 42, page. 9419 - 9423, 2005-10-27

Article

Phenol vs water molecule interacting with various molecules: sigma-type, pi-type, and chi-type hydrogen bonds, interaction energies, and their energy componentsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 109, no. 8, page. 1720 - 1728, 2005-03-03

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