Hine, Nicholas D.M. : rechercher sur Z-Library

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Articles (128)
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Substituent position effects on sunscreen photodynamics: a closer look at methyl anthranilate

d. N. Rodrigues, Natércia, Cole-Filipiak, Neil C., A. P. Turner, Matt, Krokidi, Konstantina, Thornton, Georgia L., Richings, Gareth W., D. M. Hine, Nicholas, Stavros, Vasilios G.

Journal:

Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 838 KB

english, 2018

Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di( tert -butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones

Hill, Lensey L., Crowell, Jason L., Tutwiler, Strudwick L., Massie, Nicholas L., Hines, C. Corey, Griffin, Scott T., Rogers, Robin D., Shaughnessy, Kevin H., Grasa, Gabriela A., Johansson Seechurn, Ca

Journal:

Journal of Organic Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2010

Electrostatic considerations affecting the calculated HOMO–LUMO gap in protein molecules

Lever, Greg, Cole, Daniel J, Hine, Nicholas D M, Haynes, Peter D, Payne, Mike C

Journal:

Journal of Physics Condensed Matter

Année:

2013

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2013

Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

Weber, Cédric, O’Regan, David D., Hine, Nicholas D. M., Payne, Mike C., Kotliar, Gabriel, Littlewood, Peter B.

Journal:

Physical Review Letters

Année:

2012

Langue:

english

Fichier:

PDF, 548 KB

english, 2012

Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory

Hine, Nicholas D. M., Dziedzic, Jacek, Haynes, Peter D., Skylaris, Chris-Kriton

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2011

EFTPoS, BEFORE AND AFTER; RETAILER REACTION

Alexander, Nicholas, Hine, Jim, Howells, John

Journal:

International Journal of Retail & Distribution Management

Année:

1991

Langue:

english

Fichier:

PDF, 526 KB

english, 1991

Plant pest and disease diagnosis using electronic nose and support vector machine approach

Ghaffari, Reza, Laothawornkitkul, Jullada, Iliescu, Daciana, Hines, Evor, Leeson, Mark, Napier, Richard, Moore, Jason P, Paul, Nigel D, Hewitt, C Nicholas, Taylor, Jane E

Journal:

Journal of Plant Diseases and Protection

Année:

2012

Langue:

english

Fichier:

PDF, 430 KB

english, 2012

Impact of Carbonyl Formation on Cobalt Ripening over Titania Surface

Duff, Kevin Kelsey Brian, Spanu, Leonardo, Hine, Nicholas D. M.

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 7.80 MB

english, 2017

Overlap of heritable influences between cannabis use disorder, frequency of use and opportunity to use cannabis: trivariate twin modelling and implications for genetic design

Hines, Lindsey A., Morley, Katherine I., Rijsdijk, Fruhling, Strang, John, Agrawal, Arpana, Nelson, Elliot C., Statham, Dixie, Martin, Nicholas G., Lynskey, Michael T.

Journal:

Psychological Medicine

Année:

2018

Langue:

english

Fichier:

PDF, 180 KB

english, 2018

ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Linscott, Edward B., Cole, Daniel J., Hine, Nicholas D. M., Payne, Michael C., Weber, CÃ©dric

Journal:

Journal of Chemical Theory and Computation

Année:

2020

Fichier:

PDF, 2.11 MB

2020

An Intermediate for the Clean Synthesis of Ionic Liquids: Isolation and Crystal Structure of 1,3-Dimethylimidazolium Hydrogen Carbonate Monohydrate

Nicholas J. Bridges, C. Corey Hines, Marcin Smiglak, Robin D. Rogers

Journal:

Chemistry - A European Journal

Année:

2007

Langue:

english

Fichier:

PDF, 141 KB

english, 2007

Ionic Liquid-Based Routes to Conversion or Reuse of Recycled Ammonium Perchlorate

David B. Cordes, Marcin Smiglak, C. Corey Hines, Nicholas J. Bridges, Meghna Dilip, Geetha Srinivasan, Andreas Metlen, Robin D. Rogers

Journal:

Chemistry - A European Journal

Année:

2009

Langue:

english

Fichier:

PDF, 361 KB

english, 2009

The seismic stratigraphy of Okanagan Lake, British Columbia; a record of rapid deglaciation in a deep ‘fiord-lake’ basin

Nicholas Eyles, Henry T Mullins, Albert C Hine

Journal:

Sedimentary Geology

Année:

1991

Langue:

english

Fichier:

PDF, 2.64 MB

english, 1991

4,5-Disubstituted oxazolidinones: High affinity molecular effectors of RNA function

Rajaneesh Anupam, Abhijit Nayek, Nicholas J. Green, Frank J. Grundy, Tina M. Henkin, John A. Means, Stephen C. Bergmeier, Jennifer V. Hines

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2008

Langue:

english

Fichier:

PDF, 277 KB

english, 2008

ModelDB: A Database to Support Computational Neuroscience

Michael L. Hines, Thomas Morse, Michele Migliore, Nicholas T. Carnevale, Gordon M. Shepherd

Journal:

Journal of Computational Neuroscience

Année:

2004

Langue:

english

Fichier:

PDF, 290 KB

english, 2004

Immune Indexes of Larks from Desert and Temperate Regions Show Weak Associations with Life History but Stronger Links to Environmental Variation in Microbial Abundance

Nicholas P. C. Horrocks, Arne Hegemann, Kevin D. Matson, Kathryn Hine, Sophie Jaquier, Mohammed Shobrak, Joseph B. Williams, Joost M. Tinbergen, and B. Irene Tieleman

Journal:

Physiological and Biochemical Zoology

Année:

2012

Langue:

english

Fichier:

PDF, 592 KB

english, 2012

Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals

Hine, Nicholas, Robinson, Mark, Haynes, Peter, Skylaris, Chris-Kriton, Payne, Mike, Mostofi, Arash

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 474 KB

english, 2011

Effects of deoxynivalenol (DON, vomitoxin) on in utero development in rats

Thomas F.X. Collins, Robert L. Sprando, Thomas N. Black, Nicholas Olejnik, Robert M. Eppley, Fred A. Hines, James Rorie, Dennis I. Ruggles

Journal:

Food and Chemical Toxicology

Année:

2006

Langue:

english

Fichier:

PDF, 167 KB

english, 2006

Conserved properties of HP1Hsα

Laura E Norwood, Stephanie K Grade, Diane E Cryderman, Karrie A Hines, Nicholas Furiasse, Rafael Toro, Yuhong Li, Archana Dhasarathy, Michael P Kladde, Mary J.C Hendrix, Dawn A Kirschmann, Lori L Wall

Journal:

Gene

Année:

2004

Langue:

english

Fichier:

PDF, 501 KB

english, 2004

Lithiated amidines: syntheses and structural characterisations

Barker, James, Barr, Donald, Barnett, Nicholas D. R., Clegg, William, Cragg-Hine, Ian, Davidson, Matthew G., Davies, Robert P., Hodgson, Susan M., Howard, Judith A. K., Kilner, Melvyn, Lehmann, Christ

Journal:

Journal of the Chemical Society Dalton Transactions

Année:

1997

Langue:

english

Fichier:

PDF, 350 KB

english, 1997

Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered Homology Modeling and Structure-Based Virtual Screening

Cavasotto, Claudio N., Orry, Andrew J. W., Murgolo, Nicholas J., Czarniecki, Michael F., Kocsi, Sue Ann, Hawes, Brian E., O’Neill, Kim A., Hine, Heather, Burton, Marybeth S., Voigt, Johannes H., Abagy

Journal:

Journal of Medicinal Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 904 KB

english, 2008

Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory

Corsini, Niccolò R. C., Greco, Andrea, Hine, Nicholas D. M., Molteni, Carla, Haynes, Peter D.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2013

Toward Ab Initio Optical Spectroscopy of the Fenna–Matthews–Olson Complex

Cole, Daniel J., Chin, Alex W., Hine, Nicholas D. M., Haynes, Peter D., Payne, Mike C.

Journal:

The Journal of Physical Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2013

Importance of Many-Body Effects in the Kernel of Hemoglobin for Ligand Binding

Weber, Cédric, O’Regan, David D., Hine, Nicholas D. M., Littlewood, Peter B., Kotliar, Gabriel, Payne, Mike C.

Journal:

Physical Review Letters

Année:

2013

Langue:

english

Fichier:

PDF, 471 KB

english, 2013

Calculating optical absorption spectra for large systems using linear-scaling density functional theory

Ratcliff, Laura E., Hine, Nicholas D. M., Haynes, Peter D.

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 885 KB

english, 2011

Respiratory protection policies and practices among the health care workforce exposed to influenza in New York State: Evaluating emergency preparedness for the next pandemic

Hines, Leah, Rees, Elizabeth, Pavelchak, Nicholas

Journal:

American Journal of Infection Control

Année:

2014

Langue:

english

Fichier:

PDF, 477 KB

english, 2014

The Effectiveness of Routine Daily Chlorhexidine Gluconate Bathing in Reducing Klebsiella pneumoniae Carbapenemase–Producing Enterobacteriaceae Skin Burden among Long-Term Acute Care Hospital Patients

Lin, Michael Y., Lolans, Karen, Blom, Donald W., Lyles, Rosie D., Weiner, Shayna, Poluru, Kavya B., Moore, Nicholas, Hines, David W., Weinstein, Robert A., Hayden, Mary K.

Journal:

Infection Control and Hospital Epidemiology

Année:

2014

Langue:

english

Fichier:

PDF, 237 KB

english, 2014

Anisotropic charge screening and supercell size convergence of defect formation energies

Murphy, Samuel T., Hine, Nicholas D. M.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2013

Point Defects and Non-stoichiometry in Li 2 TiO 3

Murphy, Samuel T., Hine, Nicholas D. M.

Journal:

Chemistry of Materials

Année:

2014

Langue:

english

Fichier:

PDF, 3.85 MB

english, 2014

Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils

Wilkinson, Karl A., Hine, Nicholas D. M., Skylaris, Chris-Kriton

Journal:

Journal of Chemical Theory and Computation

Année:

2014

Langue:

english

Fichier:

PDF, 4.94 MB

english, 2014

Bromophenyl functionalization of carbon nanotubes: an ab initio study

Janssen, Jonathan Laflamme, Beaudin, Jason, Hine, Nicholas D M, Haynes, Peter D, Côté, Michel

Journal:

Nanotechnology

Année:

2013

Langue:

english

Fichier:

PDF, 422 KB

english, 2013

Erratum: Relativistic charged-boson plasma in a magnetic field. II

Witte, Nicholas S., Kowalenko, Victor, Hines, Kenneth C.

Journal:

Physical Review D

Année:

1989

Langue:

english

Fichier:

PDF, 49 KB

english, 1989

with full local orbital optimization

O’Regan, David D., Hine, Nicholas D. M., Payne, Mike C., Mostofi, Arash A.

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 353 KB

english, 2012

Factors influencing the distribution of charge in polar nanocrystals

Avraam, Philip W., Hine, Nicholas D. M., Tangney, Paul, Haynes, Peter D.

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 592 KB

english, 2011

Fermi-level pinning can determine polarity in semiconductor nanorods

Avraam, Philip W., Hine, Nicholas D. M., Tangney, Paul, Haynes, Peter D.

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 729 KB

english, 2012

Relativistic charged bosons in a magnetic field. I. Wave functions and matrix elements

Witte, Nicholas S., Dawe, Ross L., Hines, Kenneth C.

Journal:

Journal of Mathematical Physics

Année:

1987

Langue:

english

Fichier:

PDF, 959 KB

english, 1987

Relativistic charged-boson plasma in a magnetic field. II

Witte, Nicholas S., Kowalenko, Victor, Hines, Kenneth C.

Journal:

Physical Review D

Année:

1988

Langue:

english

Fichier:

PDF, 1.11 MB

english, 1988

using nonorthogonal generalized Wannier functions

O’Regan, David D., Hine, Nicholas D. M., Payne, Mike C., Mostofi, Arash A.

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 154 KB

english, 2010

Anyone For Tetanus?

James F. Fair, Nicholas R. Hicks, C. E. Hine and Rosalind Stanwell Smith

Journal:

BMJ

Année:

1988

Langue:

english

Fichier:

PDF, 316 KB

english, 1988

KCC2 activity is critical in limiting the onset and severity of status epilepticus

Silayeva, Liliya, Deeb, Tarek Z., Hines, Rochelle M., Kelley, Matt R., Munoz, Michaelanne B., Lee, Henry H. C., Brandon, Nicholas J., Dunlop, John, Maguire, Jaime, Davies, Paul A., Moss, Stephen J.

Journal:

Proceedings of the National Academy of Sciences

Année:

2015

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2015

Spontaneous Isolated Dissection of the Celiac Artery: CT Findings in Adults

D'Ambrosio, Nicholas, Friedman, Barak, Siegel, David, Katz, Douglas, Newatia, Amit, Hines, John

Journal:

American Journal of Roentgenology

Année:

2007

Langue:

english

Fichier:

PDF, 1.86 MB

english, 2007

Linear-scaling density functional theory simulations of polar semiconductor nanorods

Hine, Nicholas D M, Avraam, Philip W, Tangney, Paul, Haynes, Peter D

Journal:

Journal of Physics Conference Series

Année:

2012

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2012

Autologous Islet Transplantation With Remote Islet Isolation After Pancreas Resection for Chronic Pancreatitis

Tai, Denise S., Shen, Na, Szot, Gregory L., Posselt, Andrew, Feduska, Nicholas J., Habashy, Andrew, Clerkin, Barbara, Core, Erin, Busuttil, Ronald W., Hines, O. Joe, Reber, Howard A., Lipshutz, Gerald

Journal:

JAMA Surgery

Année:

2015

Langue:

english

Fichier:

PDF, 107 KB

english, 2015

heterostructures

Constantinescu, Gabriel C., Hine, Nicholas D. M.

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 3.68 MB

english, 2015

Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations

Todorova, Nevena, Makarucha, Adam J., Hine, Nicholas D. M., Mostofi, Arash A., Yarovsky, Irene, Briggs, James M.

Journal:

PLoS Computational Biology

Année:

2013

Langue:

english

Fichier:

PDF, 6.31 MB

english, 2013

Elevated Curie temperature and half-metallicity in the ferromagnetic semiconductor

Monteiro, Pedro M. S., Baker, Peter J., Hine, Nicholas D. M., Steinke, Nina-J., Ionescu, Adrian, Cooper, Joshaniel F. K., Barnes, Crispin H. W., Kinane, Christian J., Salman, Zaher, Wildes, Andrew R.,

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 1.82 MB

english, 2015

Calculating dispersion interactions using maximally localized Wannier functions

Andrinopoulos, Lampros, Hine, Nicholas D. M., Mostofi, Arash A.

Journal:

The Journal of Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2011

Relative Accuracy of CT and MRI for Characterization of Cystic Pancreatic Masses

Katz, Douglas S., Friedel, David M., Kho, David, Georgiou, Nicholas, Hines, John J.

Journal:

American Journal of Roentgenology

Année:

2007

Langue:

english

Fichier:

PDF, 78 KB

english, 2007

SPG7 Is an Essential and Conserved Component of the Mitochondrial Permeability Transition Pore

Shanmughapriya, Santhanam, Rajan, Sudarsan, Hoffman, Nicholas E., Higgins, Andrew M., Tomar, Dhanendra, Nemani, Neeharika, Hines, Kevin J., Smith, Dylan J., Eguchi, Akito, Vallem, Sandhya, Shaikh, Far

Journal:

Molecular Cell

Année:

2015

Langue:

english

Fichier:

PDF, 5.84 MB

english, 2015

Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles

Corsini, Niccolo R. C., Zhang, Yuanpeng, Little, William R., Karatutlu, Ali, Ersoy, Osman, Haynes, Peter D., Molteni, Carla, Hine, Nicholas D. M., Hernandez, Ignacio, Gonzalez, Jesus, Rodriguez, Ferna

Journal:

Nano Letters

Année:

2015

Langue:

english

Fichier:

PDF, 2.98 MB

english, 2015