Roberto Marquardt

Definition of the halogen bond (IUPAC Recommendations 2013)

Gautam R. Desiraju, P Shing Ho, Lars Kloo et al. · Pure and Applied Chemistry · 2013 · 1.9K citations · Full text

Molecular Entity, Halogen Bond, Molecular Sciences +9

Dipole moment function and equilibrium structure of methane in an analytical, anharmonic nine-dimensional potential surface related to experimental rotational constants and transition moments by quantum Monte Carlo calculations

H. Hollenstein, Roberto Marquardt, Martin Qüack et al. · The Journal of Chemical Physics · 1994 · 105 citations

Ch Bond, Engineering, Absorption Spectroscopy +19

The wave packet motion and intramolecular vibrational redistribution in CHX3 molecules under infrared multiphoton excitation

Roberto Marquardt, Martin Qüack · The Journal of Chemical Physics · 1991 · 102 citations

Quantum Dynamic, Engineering, Fermi Modes +22

Global analytical potential hypersurfaces for large amplitude nuclear motion and reactions in methane. I. Formulation of the potentials and adjustment of parameters to <i>ab initio</i> data and experimental constraints

Roberto Marquardt, Martin Qüack · The Journal of Chemical Physics · 1998 · 88 citations

Engineering, Nuclear Physics, Potential Hypersurface +21

Global Analytical Potential Hypersurface for Large Amplitude Nuclear Motion and Reactions in Methane II. Characteristic Properties of the Potential and Comparison to Other Potentials and Experimental Information

Roberto Marquardt, Martin Qüack · The Journal of Physical Chemistry A · 2004 · 84 citations

Engineering, Adiabatic Channel Model, Computational Chemistry +18