HILLIER, NEIL K.: search on Z-Library

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1

Understanding the Decomposition Pathways of Mixed Sulfur/Selenium Lead Phosphinato Complexes Explaining the Formation of Lead Selenide

Akhtar, Javeed, Afzaal, Mohammad, Vincent, Mark A., Burton, Neil A., Raftery, James, Hillier, Ian H., O’Brien, Paul

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.28 MB

english, 2011

2

Muscle-Damaging Exercise Increases Heat Strain during Subsequent Exercise Heat Stress

FORTES, MATTHEW BENJAMIN, DI FELICE, UMBERTO, DOLCI, ALBERTO, JUNGLEE, NAUSHAD A., CROCKFORD, MICHAEL J., WEST, LIAM, HILLIER-SMITH, RYAN, MACDONALD, JAMIE HUGO, WALSH, NEIL PETER

Journal:

Medicine & Science in Sports & Exercise

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

3

Vibrational spectroscopy of the oxygen-evolving complex and of manganese model compounds

Hsiu-An Chu, Warwick Hillier, Neil A Law, Gerald T Babcock

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2001

Language:

english

File:

PDF, 340 KB

english, 2001

4

Predictions of tautomeric equilibria in 2-hydroxypyridine and pyridine-2-thiol: correlation effects and possible discrepancies with experiment

Parchment, Oswald G., Burton, Neil A., Hillier, Ian H., Vincent, Mark A.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1993

Language:

english

File:

PDF, 371 KB

english, 1993

5

Effects of Nosema apis, N. ceranae, and coinfections on honey bee (Apis mellifera) learning and memory

Charbonneau, Lise R., Hillier, Neil Kirk, Rogers, Richard E. L., Williams, Geoffrey R., Shutler, Dave

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 565 KB

english, 2016

6

The effects of perfluorination on carbohydrate–π interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrin

Raju, Rajesh K., Hillier, Ian H., Burton, Neil A., Vincent, Mark A., Doudou, Slimane, Bryce, Richard A.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.48 MB

english, 2010

7

Which density functional should be used to study actinyl complexes?

Austin, Jonathan P., Burton, Neil A., Hillier, Ian H., Sundararajan, Mahesh, Vincent, Mark A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 106 KB

english, 2009

8

Modelling the binding of HIV-reverse transcriptase and nevirapine: an assessment of quantum mechanical and force field approaches and predictions of the effect of mutations on binding

Raju, Rajesh K., Burton, Neil A., Hillier, Ian H.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.42 MB

english, 2010

9

Phenology of Semiochemical-Mediated Host Foraging by the Western Boxelder Bug,Boisea rubrolineata, an Aposematic Seed Predator

Joseph Schwarz, Regine Gries, Kirk Hillier, Neil Vickers, Gerhard Gries

Journal:

Journal of Chemical Ecology

Year:

2009

Language:

english

File:

PDF, 278 KB

english, 2009

10

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

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

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 415 KB

english, 1997

11

PERSONALITIES

Hillier, John, Divett, Neil

Journal:

Year:

1998

Language:

english

File:

PDF, 451 KB

english, 1998

12

A corrective potential for hydrogen in density functional calculations

Simon B Andrews, Neil A Burton, Ian H Hillier

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 69 KB

english, 1997

13

The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures

Periyasamy, Ganga, Sundararajan, Mahesh, Hillier, Ian H., Burton, Neil A., McDouall, Joseph J. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 736 KB

english, 2007

14

A DFT study of the possible role of vinylidene and carbene intermediates in the mechanism of the enzyme acetylene hydratase

Vincent, Mark A., Hillier, Ian H., Periyasamy, Ganga, Burton, Neil A.

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 401 KB

english, 2010

15

Electron correlation and the structure of 1- and 2-hydrotrioxy. An ab initio and density functional approach

Mark A. Vincent, Ian H. Hillier, Neil A. Burton

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 282 KB

english, 1995

16

Extreme tunnelling in methylamine dehydrogenase revealed by hybrid QM/MM calculations: potential energy surface profile for methylamine and ethanolamine substrates and kinetic isotope effect values

TRESADERN, GARY, WANG, HONG, FAULDER, PAUL F., BURTON, NEIL A., HILLIER, IAN H.

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 916 KB

english, 2003

17

Quantum Catalysis in Enzymes: Beyond the Transition State Theory || An Analysis of Reaction Pathways for Proton Tunnelling in Methylamine Dehydrogenase

Sara Nuñez, Gary Tresadern, Ian H. Hillier and Neil A. Burton

Journal:

Philosophical Transactions Biological Sciences

Year:

2006

Language:

english

File:

PDF, 2.93 MB

english, 2006

18

Molecular electronic structure calculations employing a plane wave basis: A comparison with Gaussian basis calculations

Simon B. Andrews, Neil A. Burton, Ian H. Hillier, Janusz M. Holender, Michael J. Gillan

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 393 KB

english, 1996

19

Combined Hartree-Fock and density functional theory: a distributed memory parallel implementation

Matthew D. Cooper, Neil A. Burton, Richard J. Hall, Ian H. Hillier

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 1004 KB

english, 1994

20

QM/MM Studies Show Substantial Tunneling for the Hydrogen-Transfer Reaction in Methylamine Dehydrogenase

Faulder, Paul F., Tresadern, Gary, Chohan, Kamaldeep K., Scrutton, Nigel S., Sutcliffe, Michael J., Hillier, Ian H., Burton, Neil A.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 44 KB

english, 2001

21

Theoretical analysis of peptidyl ?-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design

Gleeson, M. Paul, Hillier, Ian H., Burton, Neil A.

Journal:

Organic & Biomolecular Chemistry

Year:

2004

Language:

english

File:

PDF, 827 KB

english, 2004

22

A theoretical study, using ab initio methods, of tautomerism in 3-amino-1,2,4-triazole in the gas phase and in aqueous solution

Parchment, Oswald G., Hillier, Ian H., Green, Darren V. S., Burton, Neil A., Morley, John O., Schaefer, Henry F.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1992

Language:

english

File:

PDF, 442 KB

english, 1992

23

Mechanism and transition state structure for papain catalysed amide hydrolysis, using a hybrid QM/MM potential

Harrison, Martin J., Burton, Neil A., Hillier, Ian H., Gould, Ian R.

Journal:

Chemical Communications

Year:

1996

Language:

english

File:

PDF, 576 KB

english, 1996

24

Sexual isolation of male moths explained by a single pheromone response QTL containing four receptor genes

Fred Gould, Marie Estock, N. Kirk Hillier, Bekah Powell, Astrid T. Groot, Catherine M. Ward, Jennifer L. Emerson, Coby Schal, Neil J. Vickers and Gene E. Robinson

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 1.36 MB

english, 2010

25

Visible and Infrared Photometry of Fourteen Kuiper Belt Objects

John K. Davies, Simon Green, Neil McBride, Erica Muzzerall, David J. Tholen, Robert J. Whiteley, Michael J. Foster, Jon K. Hillier

Journal:

Year:

2000

Language:

english

File:

PDF, 90 KB

english, 2000

26

Solvation and solid state effects on the structure and energetics of the tautomers of creatinine

Craw, J. Simon, Greatbanks, Stephen P., Hillier, Ian H., Harrison, Martin J., Burton, Neil A.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 327 KB

english, 1997

27

Tautomeric equilibria in 2-hydroxypyridine and in cytosine. An assessment of density functional methods, including gradient corrections

Richard J. Hall, Neil A. Burton, Ian H. Hillier, Phillip E. Young

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 214 KB

english, 1994

28

Assessment of approximate quantum chemical methods for calculating the interaction energy of nucleic acid bases with graphene and carbon nanotubes

Anitha Ramraj, Ian H. Hillier, Mark A. Vincent, Neil A. Burton

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 146 KB

english, 2010

29

Electronic structures of transition-metal four-co-ordinated complexes. Part 3. Theoretical ab initio and ultraviolet photoelectron spectroscopy study of nickel(II), palladium(II), and platinum(II) bis(O,O?-diethyl dithiophosphate) square-planar complexes

Ciliberto, Enrico, Di Bella, Santo, Fragal�, Ignazio, Granozzi, Gaetano, Burton, Neil A., Hillier, Ian H., Kendrick, John, Guest, Martyn F.

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1990

Language:

english

File:

PDF, 949 KB

english, 1990

30

Composition of jovian dust stream particles

Frank Postberg, Sascha Kempf, Ralf Srama, Simon F. Green, Jon K. Hillier, Neil McBride, Eberhard Grün

Journal:

Year:

2006

Language:

english

File:

PDF, 321 KB

english, 2006

31

Mercury bioaccumulation in dragonflies (Odonata: Anisoptera): Examination of life stages and body regions

Buckland-Nicks, Amy, Hillier, Kirk Neil, Avery, Trevor S., O'Driscoll, Nelson J.

Journal:

Environmental Toxicology and Chemistry

Year:

2014

Language:

english

File:

PDF, 792 KB

english, 2014

32

An Alternative Role for the Conserved Asp Residue in Phosphoryl Transfer Reactions

Hart, Jason C., Hillier, Ian H., Burton, Neil A., Sheppard, David W.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 57 KB

english, 1998

33

Exploring reaction pathways with transition path and umbrella sampling: Application to methyl maltoside

Dimelow, Richard J., Bryce, Richard A., Masters, Andrew J., Hillier, Ian H., Burton, Neil A.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 840 KB

english, 2006

34

Calculations of hydrogen tunnelling and enzyme catalysis: a comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase

Gary Tresadern, Jonathan P McNamara, Matthias Mohr, Hong Wang, Neil A Burton, Ian H Hillier

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 200 KB

english, 2002

35

Recent advances in quantum mechanical/molecular mechanical calculations of enzyme catalysis: hydrogen tunnelling in liver alcohol dehydrogenase and inhibition of elastase by α-ketoheterocycles

Gary Tresadern, Paul F. Faulder, M. Paul Gleeson, Zubeir Tai, Grant MacKenzie, Neil A. Burton, Ian H. Hillier

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2003

Language:

english

File:

PDF, 596 KB

english, 2003

36

Do visual cues associated with larger diameter trees influence host selection by Tetropium fuscum (Coleoptera: Cerambycidae)?

Nelson, Tyler D., Sweeney, Jon D., Kirk Hillier, Neil

Journal:

The Canadian Entomologist

Year:

2017

Language:

english

File:

PDF, 158 KB

english, 2017

37

Soil and foliar application of rock dust as natural control agent for two-spotted spider mites on tomato plants

Faraone, Nicoletta, Evans, Rodger, LeBlanc, Julia, Hillier, Neil Kirk

Journal:

Scientific Reports

Year:

2020

File:

PDF, 1.22 MB

2020

38

Visible and infrared photometry of Kuiper Belt objects: searching for evidence of trends

Neil McBride, Simon F. Green, John K. Davies, David J. Tholen, Scott S. Sheppard, Robert J. Whiteley, Jon K. Hillier

Journal:

Year:

2003

Language:

english

File:

PDF, 442 KB

english, 2003

39

Effects of cold immobilization and recovery period on honeybee learning, memory, and responsiveness to sucrose

Elisabeth H. Frost, Dave Shutler, Neil Kirk Hillier

Journal:

Journal of Insect Physiology

Year:

2011

Language:

english

File:

PDF, 295 KB

english, 2011

40

[American Institute of Aeronautics and Astronautics 36th AIAA Fluid Dynamics Conference and Exhibit - San Francisco, California ()] 36th AIAA Fluid Dynamics Conference and Exhibit - Separated Shockwave / Turbulent Boundary Layer Interactions at Hypersonic Speeds

Murray, Neil, Hillier, Richard

Year:

2006

Language:

english

File:

PDF, 94.94 MB

english, 2006

41

Computer simulation of zeolite structure and reactivity using embedded cluster methods

Sherwood, Paul, de Vries, Alex H., Collins, Simon J., Greatbanks, Stephen P., Burton, Neil A., Vincent, Mark A., Hillier, Ian H.

Journal:

Faraday Discussions

Year:

1997

Language:

english

File:

PDF, 364 KB

english, 1997

42

The dynamics of water exchange in gadolinium DOTA complexes studied by transition path sampling and potential of mean force methods

Dimelow, Richard J., Burton, Neil A., Hillier, Ian H.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 843 KB

english, 2007

43

The structure and binding energies of the van der Waals complexes of Ar and N[sub 2] with phenol and its cation, studied by high level ab initio and density functional theory calculations

Vincent, Mark A., Hillier, Ian H., Morgado, Claudio A., Burton, Neil A., Shan, Xiao

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008

44

What is the mechanism of phosphoryl transfer in protein kinases? A hybrid quantum mechanical/molecular mechanical study

Hart, Jason C., Sheppard, David W., Hillier, Ian H., Burton, Neil A.

Journal:

Chemical Communications

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

45

How are the ready and unready states of nickel?iron hydrogenase activated by H2? A density functional theory study

Jayapal, Prabha, Sundararajan, Mahesh, Hillier, Ian H., Burton, Neil A.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 710 KB

english, 2006

46

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions

Tresadern, Gary, Nunez, Sara, Faulder, Paul F., Wang, Hong, Hillier, Ian H., Burton, Neil A.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 520 KB

english, 2003

47

A stepwise reaction path for the homolytic chemisorption of H2 onto the MgO (100) surface

Simon B. Andrews, Neil A. Burton, Ian H. Hillier

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 282 KB

english, 1997

48

Mechanism of Nitrite Reduction at T 2 Cu Centers: Electronic Structure Calculations of Catalysis by Copper Nitrite Reductase and by Synthetic Model Compounds

Sundararajan, Mahesh, Hillier, Ian H., Burton, Neil A.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 203 KB

english, 2007

49

Fate of Dermally Applied Miticides Fluvalinate and Amitraz Within Honey Bee (Hymenoptera: Apidae) Bodies

Hillier, Neil Kirk, Frost, Elisabeth H., Shutler, Dave

Journal:

Journal of Economic Entomology

Year:

2013

Language:

english

File:

PDF, 257 KB

english, 2013

50

Influence of Serotonin Transporter SLC6A4 Genotype on the Effect of Psychosocial Stress on Cognitive Performance

Beversdorf, David Q., Carpenter, Allen L., Alexander, Jessica K., Jenkins, Neil T., Tilley, Michael R., White, Catherine A., Hillier, Ashleigh J., Smith, Ryan M., Gu, Howard H.

Journal:

Cognitive and Behavioral Neurology

Year:

2018

Language:

english

File:

PDF, 169 KB

english, 2018

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