› publications

  1. On-top density functionals for the short-range dynamic correlation between electrons of opposite and parallel-spin JW Hollett and N Pegoretti J Chem Phys in press
  2. Hydration and Secondary Ozonide of the Criegee Intermediate of Sabinene M Almatarneh, I Elayan, M Altarawneh and JW Hollett ACS Omega 3 (2018) 2417
  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 31 (2018) e3742
  4. 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 121 (2017) 8026
  5. 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 29 (2017) 45LT01
  6. A cumulant functional for static and dynamic correlation JW Hollett, H Hosseini, and C Menzies J Chem Phys 145 (2016) 084106
  7. 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
  8. Simple empirical models for predicting electron correlation in small molecular systems Z Istvankova, RA Poirier, and JW Hollett Comp Theor Chem 1074 (2015) 136
  9. Simple models for predicting correlation energy RA Poirier, Z Istvankova, V Grandy, DC Keefe and JW Hollett Comp Theor Chem 1067 (2015) 64
  10. Non-pairwise additivity of the leading-order dispersion JW Hollett J Chem Phys 142 (2015) 084105
  11. 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
  12. 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
  13. Distributions of r1·r2 and p1·p2 in atoms JW Hollett, PMW Gill J Chem Theory Comput 8 (2012) 1657
  14. Resolutions of the Coulomb Operator. VI. Computation of auxiliary integrals T Limpanuparb, JW Hollett, PMW Gill J Chem Phys 136 (2012) 104102
  15. The nature of electron correlation in a dissociating bond JW Hollett, LK McKemmish, PMW Gill J Chem Phys 134 (2011) 224103
  16. The two faces of static correlation JW Hollett, PMW Gill J Chem Phys 134 (2011) 114111
  17. 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
  18. 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
  19. SEST: Simulated electronic structure theory JW Hollett, RA Poirier J Chem Theory Comput 5 (2009) 126
  20. An interesting relationship between interelectronic distance and the corresponding Coulomb integral JW Hollett, RA Poirier J Theor Comput Chem 6 (2007) 13
  21. 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
  22. Quantum Mechanical Size and Steric hindrance JW Hollett, RA Poirier J Phys Chem A 110 (2006) 13884