C. B. Nielsen

发表

Gauge-origin independent magnetizabilities from hybrid quantum mechanics/molecular mechanics models: Theory and applications to liquid water

K. Mikkelsen, K. Ruud, J. Kongsted, 2007 .

DALTON2013 { Dalton Program Manual

Kristian O. Sylvester-Hvid, Jógvan Magnus Haugaard Olsen, J. Olsen, 2013 .

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

DALTON2011 Program Manual

J. Olsen, P. Jørgensen, R. Cimiraglia, 2011 .

Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models.

Kenneth Ruud, Jacob Kongsted, Ove Christiansen, 2007, The Journal of chemical physics.

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Effects of conjugation length and resonance enhancement on two-photon absorption in phenylene-vinylene oligomers.

O. Christiansen, M. Jørgensen, M. Paterson, 2008, Physical chemistry chemical physics : PCCP.

Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde.

Jacob Kongsted, Ove Christiansen, Kurt V Mikkelsen, 2007, The Journal of chemical physics.

Two-photon absorption cross sections: an investigation of solvent effects. Theoretical studies on formaldehyde and water.

K. Mikkelsen, J. Kongsted, O. Christiansen, 2006, The Journal of chemical physics.

Comparison between theoretically and experimentally determined electronic properties: applications to two-photon singlet oxygen sensitizers.

J. Kongsted, H. Sørensen, C. B. Nielsen, 2015, The journal of physical chemistry. A.

Solvent effects on NMR isotropic shielding constants. a comparison between explicit polarizable discrete and continuum approaches.

Kenneth Ruud, Jacob Kongsted, Kestutis Aidas, 2007, The journal of physical chemistry. A.