Theoretical Chemistry Accounts Journal

Overview

publication venue for

• Toward (car)borane-based molecular magnets (vol 134, pg 9, 2015) 2016
• Toward (car)borane-based molecular magnets 2015
• A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers 2014
• Electronic excitation in a syn-tetrasilane: 1,1,2,2,3,3,4,4-octamethyltetrasilacyclopentane 2007
• A theoretical study of the H₂SO₄+H₂O → HSO^-₄+H₃O⁺ reaction at the surface of aqueous aerosols 2004
• Signatures of reactive resonance: three case studies 2002
• Argon-matrix-isolation Raman spectra and density functional study of 1,3-butadiene conformers 1999

Research

keywords

• 0307 Theoretical and Computational Chemistry