D
David J. D. Wilson
Researcher at La Trobe University
Publications - 178
Citations - 4820
David J. D. Wilson is an academic researcher from La Trobe University. The author has contributed to research in topics: Carbene & Diatomic molecule. The author has an hindex of 30, co-authored 170 publications receiving 3930 citations. Previous affiliations of David J. D. Wilson include Deakin University & University of Oslo.
Papers
More filters
Journal ArticleDOI
The Dalton quantum chemistry program system
Kestutis Aidas,Celestino Angeli,Keld L. Bak,Vebjørn Bakken,Radovan Bast,Linus Boman,Ove Christiansen,Renzo Cimiraglia,Sonja Coriani,Pål Dahle,Erik K. Dalskov,Ulf Ekström,Thomas Enevoldsen,Janus J. Eriksen,Patrick Ettenhuber,Berta Fernández,Lara Ferrighi,Heike Fliegl,Luca Frediani,Kasper Hald,Asger Halkier,Christof Hättig,Hanne Heiberg,Trygve Helgaker,Alf C. Hennum,Hinne Hettema,Eirik Hjertenæs,Stine Høst,Ida-Marie Høyvik,Maria Francesca Iozzi,Brannislav Jansik,Hans-Jørgen Aa. Jensen,Dan Jonsson,Poul Jørgensen,Johanna Kauczor,Sheela Kirpekar,Thomas Kjærgaard,Wim Klopper,Stefan Knecht,Rika Kobayashi,Henrik Koch,Jacob Kongsted,Andreas Krapp,Kasper Kristensen,Andrea Ligabue,Ola B. Lutnæs,Juan Ignacio Melo,Kurt V. Mikkelsen,Rolf H. Myhre,Christian Neiss,Christian B. Nielsen,Patrick Norman,Jeppe Olsen,Jógvan Magnus Haugaard Olsen,Anders Osted,Martin J. Packer,Filip Pawłowski,Thomas Bondo Pedersen,Patricio Federico Provasi,Simen Reine,Zilvinas Rinkevicius,Torgeir A. Ruden,Kenneth Ruud,Vladimir V. Rybkin,Paweł Sałek,Claire C. M. Samson,Alfredo Sánchez de Merás,Trond Saue,Stephan P. A. Sauer,Bernd Schimmelpfennig,Kristian Sneskov,Arnfinn Hykkerud Steindal,Kristian O. Sylvester-Hvid,Peter R. Taylor,Andrew M. Teale,Erik I. Tellgren,David P. Tew,Andreas J. Thorvaldsen,Lea Thøgersen,Olav Vahtras,Mark A. Watson,David J. D. Wilson,Marcin Ziółkowski,Hans Ågren +83 more
TL;DR: Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self‐consistent‐field, Møller–Plesset, configuration‐interaction, and coupled‐cluster levels of theory.
Journal ArticleDOI
Anharmonicity in Unimolecular Reactions
TL;DR: In this article, the in-line vibrations of a linear, symmetric, triatomic molecule having Morse bond-stretching potentials were studied numerically and the significance of the results for unimolecular rate theory was discussed.
Journal ArticleDOI
Are N-heterocyclic carbenes "better" ligands than phosphines in main group chemistry? A theoretical case study of ligand-stabilized E2 molecules, L-E-E-L (L = NHC, phosphine; E = C, Si, Ge, Sn, Pb, N, P, As, Sb, Bi).
TL;DR: Predicting whether it is possible to stabilize the elusive E(2) molecule via formation of L-E-L beyond the few known examples and if the ligand set for this class of compounds can be extended from the NHC to the phosphine class of ligands is predicted.
Journal ArticleDOI
Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence
TL;DR: A series of five heteroleptic Ir(III) complexes of the general form Ir(ppy)2(C∧C:) have been prepared as discussed by the authors, which arise from the cyclometalated phenyl ring of the NHC ligand being unsubstituted or having electron-donating (OMe and Me) or electron-withdrawing (Cl and F) groups at the 2-and 4 positions of the ring.
Journal ArticleDOI
Recent advances in the field of main-group mono- and diatomic "allotropes" stabilised by neutral ligands.
TL;DR: This Minireview focuses on the significant developments of the past two years within the d-block, and carbene ligands are clearly the star of the show, highlighting their importance within the p-block as well.