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Article

Comparison of arsenic acid with phosphoric acid in the interaction with a water molecule and an alkali/alkaline-earth metal cationSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 115, no. 41, page. 11355 - 11361, 2011-10-20

Article

How Different are Electron-Rich and Electron-Deficient pi Interactions?SCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 6, no. 7, page. 1931 - 1934, 2010-07

Article

Intercalation of Transition Metals into Stacked Benzene Rings: A Model Study of the Intercalation of Transition Metals into Bilayered GrapheneSCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 8, no. 1, page. 99 - 105, 2012-01

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

Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostaticsSCIESCOPUS

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 12, no. 23, page. 6150 - 6156, 2010-01

Article

Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anionsSCIESCOPUS

CRYSTENGCOMM, vol. 15, no. 7, page. 1285 - 1288, 2013-02

Article

H-2-Binding by Neutral and Multiply Charged Titaniums: Hydrogen Storage Capacity of Titanium Mono- and DicationsSCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 7, no. 4, page. 969 - 978, 2011-04

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