Ian H. Hillier

A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

V. R. Saunders, Ian H. Hillier · International Journal of Quantum Chemistry · 1973 · 372 citations

Numerical Analysis, “ Level, Engineering +8

Computer simulation of zeolite structure and reactivity using embedded cluster methods

Paul Sherwood, Alex H. de Vries, Simon J. Collins et al. · Faraday Discussions · 1997 · 210 citations

Engineering, Material Simulation, Simulation +24

X-Ray and molecular dynamics studies of concanavalin-A glucoside and mannoside complexes Relating structure to thermodynamics of binding

G.M. Bradbrook, T. Gleichmann, S.J. Harrop et al. · Journal of the Chemical Society Faraday Transactions · 1998 · 157 citations

Concanavalin-a Glucoside, Engineering, Glycobiology +19

Theoretical Studies of Transannular Interactions. I. Benzene Excimer Fluorescence and the Singlet States of the Paracyclophanes

Martin Vala, Ian H. Hillier, Stuart A. Rice et al. · The Journal of Chemical Physics · 1966 · 156 citations

Transannular Interactions, Engineering, Excitation Energy Transfer +22

<i>Ab initio</i>molecular orbital calculations of transition metal complexes

Ian H. Hillier, V. R. Saunders · Molecular Physics · 1971 · 154 citations

Inorganic Chemistry, Engineering, Physics +11