All Stories

  1. Sigma-hole cooperativity in anionic [FX⋯CH3⋯YF]− (X, Y=Cl, Br) complexes
  2. Variation of sigma-hole magnitude with M valence electron population in MXnY4−nmolecules (n = 1–4; M = C, Si, Ge; X, Y = F, Cl, Br)
  3. The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br)
  4. Cooperative hydrogen bonding in trimers involving HCN and HBO
  5. Halogen and hydrogen bonding to the Br atom in complexes of FBr
  6. A computational study of some structural analogues of the lowest energy structure of periodane
  7. Studies of Neutral Rare-Gas Compounds and Their Non-Covalent Interactions with Other Molecules
  8. Studies of Neutral Rare-Gas Compounds and their Non-Covalent Interactions with Other Molecules
  9. Comparison of the polarizabilities of HRgF (Rg=He, Ar, Kr) molecules
  10. A computational study of the linear and nonlinear complexes of FArCCH···N2
  11. A computational study of the CO⋯HHeF dimer
  12. Intermolecular complexes of HArF and HKrF with CO
  13. Intermolecular complexes of HArF and HF
  14. Prediction of a Metastable Compound: HKrOH.
  15. A computational study of the LiH dimer
  16. Blue Shifting and Red Shifting Hydrogen Bonds: A Study of the HArF×××N2 and HArF×××P2 Complexes
  17. Isotope effects in BeH2⋯HCN
  18. A computational study of the HArF…CO dimer
  19. Blue-shifting hydrogen bonding in N[sub 2]⋯HKrF
  20. A theoretical study of H–Ar–Cl
  21. The Distribution Constant of Iodine between Aqueous and Organic Phases
  22. A Simple Derivation of the Boltzmann Distribution
  23. Using Maple To Obtain Analytic Expressions in Physical Chemistry
  24. Interatomic potentials for ArLi+ obtained by SCF, MP2 and density functional theory
  25. Computation of general multipole moment expansions forN atoms by MAPLE
  26. Nonadditive interactions in the H2 trimer
  27. On the anisotropy of the triple-dipole dispersion energy for interactions involving linear molecules
  28. Vibrational frequency shifts in NeHF and ArHF complexes