Hanne Heiberg

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

Dalton, a molecular electronic structure program, Release Dalton2011

Celestino Angeli, Keld L. Bak, V. Bakken et al. · 2011 · 181 citations

Natural Sciences, Chemical Bond, Release Dalton2011 +3

A Combined Experimental and Density Functional Theory Investigation of Hydrocarbon Activation at a Cationic Platinum(II) Diimine Aqua Complex under Mild Conditions in a Hydroxylic Solvent

Hanne Heiberg, Lars Johansson, Odd Gropen et al. · Journal of the American Chemical Society · 2000 · 121 citations

Aqua Complex, Chemical Engineering, Engineering +14

The performance of density functional theory for LnF (Ln=Nd, Eu, Gd, Yb) and YbH

Hanne Heiberg, Odd Gropen, Jon K. Laerdahl et al. · Theoretical Chemistry Accounts · 2003 · 42 citations

Electron Density, Engineering, Physics +7

C−H Activation at a Cationic Platinum (II) Center:  A Quantum Chemical Investigation

Hanne Heiberg, Ole Swang, Olav B. Ryan et al. · The Journal of Physical Chemistry A · 1999 · 29 citations

Inorganic Compound, Inorganic Chemistry, Chemical Engineering +14