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1

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

Year:

2018

Language:

english

File:

PDF, 838 KB

english, 2018

2

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

Year:

2010

Language:

english

File:

PDF, 1.33 MB

english, 2010

3

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

Year:

2013

Language:

english

File:

PDF, 1.11 MB

english, 2013

4

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

Year:

2012

Language:

english

File:

PDF, 548 KB

english, 2012

5

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

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

6

EFTPoS, BEFORE AND AFTER; RETAILER REACTION

Alexander, Nicholas, Hine, Jim, Howells, John

Journal:

International Journal of Retail & Distribution Management

Year:

1991

Language:

english

File:

PDF, 526 KB

english, 1991

7

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

Year:

2012

Language:

english

File:

PDF, 430 KB

english, 2012

8

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

Year:

2017

Language:

english

File:

PDF, 7.80 MB

english, 2017

9

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

Year:

2018

Language:

english

File:

PDF, 180 KB

english, 2018

10

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

Year:

2020

File:

PDF, 2.11 MB

2020

11

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

Year:

2007

Language:

english

File:

PDF, 141 KB

english, 2007

12

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

Year:

2009

Language:

english

File:

PDF, 361 KB

english, 2009

13

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

Year:

1991

Language:

english

File:

PDF, 2.64 MB

english, 1991

14

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

Year:

2008

Language:

english

File:

PDF, 277 KB

english, 2008

15

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

Year:

2004

Language:

english

File:

PDF, 290 KB

english, 2004

16

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

Year:

2012

Language:

english

File:

PDF, 592 KB

english, 2012

17

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

Year:

2011

Language:

english

File:

PDF, 474 KB

english, 2011

18

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

Year:

2006

Language:

english

File:

PDF, 167 KB

english, 2006

19

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:

Year:

2004

Language:

english

File:

PDF, 501 KB

english, 2004

20

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

Year:

1997

Language:

english

File:

PDF, 350 KB

english, 1997

21

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

Year:

2008

Language:

english

File:

PDF, 904 KB

english, 2008

22

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

Year:

2013

Language:

english

File:

PDF, 1.43 MB

english, 2013

23

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

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

24

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

Year:

2013

Language:

english

File:

PDF, 471 KB

english, 2013

25

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

Year:

2011

Language:

english

File:

PDF, 885 KB

english, 2011

26

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

Year:

2014

Language:

english

File:

PDF, 477 KB

english, 2014

27

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

Year:

2014

Language:

english

File:

PDF, 237 KB

english, 2014

28

Anisotropic charge screening and supercell size convergence of defect formation energies

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

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.46 MB

english, 2013

29

Point Defects and Non-stoichiometry in Li 2 TiO 3

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

Journal:

Chemistry of Materials

Year:

2014

Language:

english

File:

PDF, 3.85 MB

english, 2014

30

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

Year:

2014

Language:

english

File:

PDF, 4.94 MB

english, 2014

31

Bromophenyl functionalization of carbon nanotubes: an ab initio study

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

Journal:

Year:

2013

Language:

english

File:

PDF, 422 KB

english, 2013

32

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

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

Journal:

Physical Review D

Year:

1989

Language:

english

File:

PDF, 49 KB

english, 1989

33

with full local orbital optimization

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

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 353 KB

english, 2012

34

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

Year:

2011

Language:

english

File:

PDF, 592 KB

english, 2011

35

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

Year:

2012

Language:

english

File:

PDF, 729 KB

english, 2012

36

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

Year:

1987

Language:

english

File:

PDF, 959 KB

english, 1987

37

Relativistic charged-boson plasma in a magnetic field. II

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

Journal:

Physical Review D

Year:

1988

Language:

english

File:

PDF, 1.11 MB

english, 1988

38

using nonorthogonal generalized Wannier functions

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

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 154 KB

english, 2010

39

Anyone For Tetanus?

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

Journal:

Year:

1988

Language:

english

File:

PDF, 316 KB

english, 1988

40

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

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

41

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

Year:

2007

Language:

english

File:

PDF, 1.86 MB

english, 2007

42

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

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

43

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:

Year:

2015

Language:

english

File:

PDF, 107 KB

english, 2015

44

heterostructures

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

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 3.68 MB

english, 2015

45

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

Year:

2013

Language:

english

File:

PDF, 6.31 MB

english, 2013

46

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

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

47

Calculating dispersion interactions using maximally localized Wannier functions

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.88 MB

english, 2011

48

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

Year:

2007

Language:

english

File:

PDF, 78 KB

english, 2007

49

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:

Year:

2015

Language:

english

File:

PDF, 5.84 MB

english, 2015

50

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:

Year:

2015

Language:

english

File:

PDF, 2.98 MB

english, 2015