› publications

  1. The relative alignment of electron momenta in atoms and molecules and the effect of a static electric field JW Hollett and W Li J Phys Chem A in press
  2. Evidence for the confinement of magnetic monopoles in quantum spin ice P Sarte, A Aczel, G Ehlers, C Stock, B Gaulin, C Mauws, M Stone, S Calder, S Nagler, JW Hollett, H Zhou, J Gardner, J Attfield and C Wiebe J Phys Condens Matter in press
  3. Effect of the tether length upon Truce-Smiles rearrangement reactions D Fuss, YQ Wu, MR Grossi, JW Hollett and TE Wood J Phys Org Chem in press
  4. A cumulant functional for static and dynamic correlation JW Hollett, H Hosseini, and C Menzies J Chem Phys 145 (2016) 084106
  5. Determination of the Inhibitor Dissociation Constant of an Individual Unmodified Enzyme Molecule in Free Solution JJ Crawford, JW Hollett and DB Craig Electrophoresis 37 (2016) 2217
  6. Simple empirical models for predicting electron correlation in small molecular systems Z Istvankova, RA Poirier, and JW Hollett Comp Theor Chem 1074 (2015) 136
  7. Simple models for predicting correlation energy RA Poirier, Z Istvankova, V Grandy, DC Keefe and JW Hollett Comp Theor Chem 1067 (2015) 64
  8. Non-pairwise additivity of the leading-order dispersion JW Hollett J Chem Phys 142 (2015) 084105
  9. Highly Enantioselective (–)-Sparteine-Mediated Lateral Metalation-Functionalization of Remote Silyl Protected ortho-Ethyl N,N-Dialkyl Aryl O-Carbamates J Fassler , JA McCubbin , A Roglans , T Kimachi , JW Hollett , RW Kunz , M Tinkl , Y Zhang , R Wang , M Campbell , and V Snieckus J Org Chem 80 (2015) 3368
  10. Transition Metal Free Access to Primary Anilines from Boronic Acids and a Common +NH2 Equivalent S Voth, JW Hollett, and JA McCubbin J Org Chem 80 (2015) 2545
  11. Distributions of r1·r2 and p1·p2 in atoms JW Hollett, PMW Gill J Chem Theory Comput 8 (2012) 1657
  12. Resolutions of the Coulomb Operator. VI. Computation of auxiliary integrals T Limpanuparb, JW Hollett, PMW Gill J Chem Phys 136 (2012) 104102
  13. The nature of electron correlation in a dissociating bond JW Hollett, LK McKemmish, PMW Gill J Chem Phys 134 (2011) 224103
  14. The two faces of static correlation JW Hollett, PMW Gill J Chem Phys 134 (2011) 114111
  15. Intracule functional models. V. Recurrence relations for two-electron integrals in position and momentum space JW Hollett, PMW Gill Phys Chem Chem Phys 13 (2011) 2972
  16. Properties and applications of the average interparticle distance, Proceedings of Modeling and Design of Molecular Materials 2008 JW Hollett, RA Poirier J Mol Modeling 15 (2009) 739
  17. SEST: Simulated electronic structure theory JW Hollett, RA Poirier J Chem Theory Comput 5 (2009) 126
  18. An interesting relationship between interelectronic distance and the corresponding Coulomb integral JW Hollett, RA Poirier J Theor Comput Chem 6 (2007) 13
  19. Computational Study of the Reactions of SiH3X (X = H, Cl, Br, I) with HCN MS Islam, JW Hollett, RA Poirier J Phys Chem A 111 (2007) 526
  20. Quantum Mechanical Size and Steric hindrance JW Hollett, RA Poirier J Phys Chem A 110 (2006) 13884