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Effects of methods and basis set on ab initio calculations of electronic transport through hydrogenated Pt nanocontacts
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Adiabatic decoupling of the reaction coordinate
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Exactly solvable quantum potentials with special functions solutions
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Theoretical study of olefin oxidation process on a dioxo-m-oxo Mo catalyst
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Theoretical study of O2 adsorption and CO2 formation in bimetallic dimer clusters Au-M
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
A new insight on the quantum quantitative structure-properties relationships
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Theoretical study of the HS (vprime,jprime = 1) + O2(vPrime = 0, jPrime = 1) reaction
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Theoretical investigation of isotope effects: The any-particle molecular orbital code
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
On the possible removal of nitrogen monoxide and carbon monoxide on copper ion-exchanged montmorillonite: A DFT study
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Molecular dynamics simulations and hyperspherical mode analysis of NO in Kr crystals with the use of ab initio potential energy surfaces for the Kr-NO complex
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Transition probabilities found for M + CH4 reactions (M = zinc, copper)
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Improvements of parametric quantum methods with new elementary parametric functionals
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Structural studies of the water tetramer
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
"The 33rd Congress of Latin Expression Quantum Chemists"
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Water flow through nanopore
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
From atomic and molecular orbitals to chemical orbitals
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
Keto-enol tautomerism in linear and cyclic b-diketones: A DFT study in vacuo and in solution
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience -
A computational study of the interactions of the caespitate molecule with water
British Library Conference Proceedings | 2008|Publisher: Wiley InterScience
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