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Chemistry

D-Index
65
Citations
16281
World Ranking
7606
National Ranking
440

Overview

Ian H. Hillier is affiliated with the University of Manchester in the United Kingdom. Their academic profile currently reflects a professional engagement primarily tied to this institution.

There are no records of recent papers, frequent co-authors, publication venues, book publications, or specific subjects within their academic contributions listed in the available data. Consequently, no detailed information about individual research topics or the extent of their publications can be provided at this time.

Without specific data on main or subfields of study, or documented topics of work, it is not possible to outline the thematic scope of their scientific inquiries or research focus areas based on the current information.

There is also no record of awards or honors associated with Ian H. Hillier, and the available data indicates that the scientist is currently living.

Best Publications

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

    V. R. Saunders;I. H. Hillier

  • Computer simulation of zeolite structure and reactivity using embedded cluster methods

    Paul Sherwood;Alex H. de Vries;Simon J. Collins;Stephen P. Greatbanks

  • Catalytic Mechanism of the Enzyme Papain: Predictions with a Hybrid Quantum Mechanical/Molecular Mechanical Potential

    Martin J. Harrison;Neil A. Burton;Ian H. Hillier

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

    Martin T. Vala;Ian H. Hillier;Stuart A. Rice;Joshua Jortner

  • A quantum Mechanical Investigation of the Conformational Energetics of the Alanine and Glycine Dipeptides in the Gas Phase and in Aqueous Solution

    Ian R. Gould;Wendy D. Cornell;Ian H. Hillier

  • AN AB INITIO STUDY OF TAUTOMERISM OF URACIL, THYMINE, 5-FLUOROURACIL, AND CYTOSINE

    M. J. Scanlan;I. H. Hillier

  • Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules

    Jonathan P. McNamara;Ian H. Hillier

  • Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

    Claudio Morgado;Mark A. Vincent;Ian H. Hillier;Xiao Shan

  • Bonding in some donor–acceptor complexes involving boron trifluoride. Study by means of ESCA and molecular orbital calculations

    M. Barber;J. A. Connor;M. F. Guest;I. H. Hillier

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

    Gail M. Bradbrook;Thomas Gleichmann;Stephen J. Harrop;Jarjis Habash

  • MC−SCF study of the Diels-Alder reaction between ethylene and butadiene

    Fernando. Bernardi;Andrea. Bottoni;Martin J. Field;Martin F. Guest

  • Master equation methods for multiple well systems: application to the 1-,2-pentyl system.

    Struan H. Robertson;Michael J. Pilling;Luminita C. Jitariu;Ian H. Hillier

  • Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

    Richard A. Bryce;Mark A. Vincent;Nathaniel O. J. Malcolm;Ian H. Hillier

  • A theoretical interpretation of the bonding, and the photoelectron and ultra-violet spectra of sulphur dioxide

    Unknown

  • Mechanism of Acid Dissociation in Water Clusters: Electronic Structure Studies of (H2O)nHX (n = 4, 7; X = OH, F, HS, HSO3, OOSO2H, OOH·SO2)

    Angela Smith;Mark A. Vincent;Ian H. Hillier

  • What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?

    Ian W. Ashworth;Ian H. Hillier;David J. Nelson;Jonathan M. Percy

  • The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO(2)(L)(n)](m); An = U, Pu, Np; L = H2O, Cl-, CO32-, CH3CO2-, OH-) in aqueous solution, studied by density functional theory methods

    Jonathan P. Austin;Mahesh Sundararajan;Mark A. Vincent;Ian H. Hillier

  • Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase

    Richard J. Hall;Sally A. Hindle;Neil A. Burton;Ian H. Hillier

  • Theoretical studies of the tautomeric equilibriums and isomer energetics of 2-, 3-, and 4-hydroxypyridine

    Martin J. Scanlan;Ian H. Hillier;Alastair A. MacDowell

  • AB INITIO QUANTUM CHEMICAL CALCULATIONS ON URANYL UO22+, PLUTONYL PUO22+, AND THEIR NITRATES AND SULFATES

    J. Simon Craw;Mark A. Vincent;Ian H. Hillier;Andrew L. Wallwork

  • Carbohydrate-protein recognition: molecular dynamics simulations and free energy analysis of oligosaccharide binding to concanavalin A.

    R.A. Bryce;I.H. Hillier;J.H. Naismith

  • Modified avrami equation for the bulk crystallization kinetics of spherulitic polymers

    Unknown

Frequent Co-Authors

Ian R. Gould
Ian R. Gould Arizona State University
Jonathan Clayden
Jonathan Clayden University of Bristol
Martin J. Field
Martin J. Field Centre national de la recherche scientifique, CNRS
Stephen M. Smith
Stephen M. Smith University of Oxford
Jennifer C. Green
Jennifer C. Green University of Oxford
Michael B. Hall
Michael B. Hall Texas A&M University
Stuart A. Rice
Stuart A. Rice University of Chicago
William Clegg
William Clegg Newcastle University
Rein V. Ulijn
Rein V. Ulijn City University of New York
Colin Booth
Colin Booth University of Manchester

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