Remco W. A. Havenith

Pre-exascale accelerated application development: The ORNL Summit experience

Tjerk P. Straatsma, Joseph C. Oefelein, Matthew R. Norman, 2020, IBM J. Res. Dev..

GronOR Nonorthogonal Configuration Interaction Calculations at Exascale

Tjerk P. Straatsma, Remco W. A. Havenith, Ria Broer, 2018 .

Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s

Nico P. E. Vermeulen, H. Maarten Vinkers, Joop H. van Lenthe, 1998, J. Comput. Aided Mol. Des..

Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions

Patrick Bultinck, Sofie Van Damme, Remco W. A. Havenith, 2018, J. Comput. Chem..

Ring Current Patterns in Annelated Bicyclic Polyenes

Patrick W. Fowler, Francesca Lugli, Remco W. A. Havenith, 2002 .

TURTLE - A gradient VBSCF Program. Theory and Studies of Aromaticity

J. H. van Lenthe, Fokke Dijkstra, Remco W. A. Havenith, 2002 .

Ab initio calculations on various sialic acids provide valuable information about sialic acid-specific enzymes

Remco W. A. Havenith, Roland Schauer, J. V. Lenthe, 2004 .

The GAMESS-UK electronic structure package: algorithms, developments and applications

Ian J. Bush, Paul Sherwood, Remco W. A. Havenith, 2005 .

Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron countsPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.

Patrick W. Fowler, Paolo Lazzeretti, Remco W. A. Havenith, 2004 .