Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 10401 - 10420 of 30706 publications

Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated Hydrocarbons

G Prampolini, M Campetella, N De Mitri, PR Livotto, I Cacelli

J Chem Theory Comput

(2016)

5525

(doi: 10.1021/acs.jctc.6b00705)

Label-Free Analysis and Sorting of Microalgae and Cyanobacteria in Microdroplets by Intrinsic Chlorophyll Fluorescence for the Identification of Fast Growing Strains.

RJ Best, JJ Lyczakowski, S Abalde-Cela, Z Yu, C Abell, AG Smith

Analytical chemistry

(2016)

10445

(doi: 10.1021/acs.analchem.6b02364)

Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight

M Espinal-Viguri, AK King, JP Lowe, MF Mahon, RL Webster

ACS Catalysis

(2016)

7892

(doi: 10.1021/acscatal.6b02290)

Numerical Evidence for Thermally Induced Monopoles

P Wirnsberger, D Fijan, RA Lightwood, A Šarić, C Dellago, D Frenkel

(2016)

(doi: 10.48550/arxiv.1610.06840)

The effect of viscosity and diffusion on the HO2 uptake by sucrose and secondary organic aerosol particles

PSJ Lakey, T Berkemeier, M Krapf, J Dommen, SS Steimer, LK Whalley, T Ingham, MT Baeza-Romero, U Pöschl, M Shiraiwa, M Ammann, DE Heard

Atmospheric Chemistry and Physics

(2016)

13035

(doi: 10.5194/acp-16-13035-2016)

How to fold intricately: using theory and experiments to unravel the properties of knotted proteins

SE Jackson, A Suma, C Micheletti

(2016)

082446

(doi: 10.1101/082446)

ChemInform Abstract: Novel Properties and Potential Applications of Functional Ligand‐Modified Polyoxotitanate Cages

N Li, PD Matthews, H Luo, DS Wright

ChemInform

(2016)

(doi: 10.1002/chin.201645198)

Bioorthogonal Strategy for Bioprocessing of Specific-Site-Functionalized Enveloped Influenza-Virus-Like Particles.

SB Carvalho, JM Freire, MG Moleirinho, F Monteiro, D Gaspar, MARB Castanho, MJT Carrondo, PM Alves, GJL Bernardes, C Peixoto

Bioconjugate chemistry

(2016)

2386

(doi: 10.1021/acs.bioconjchem.6b00372)

Gyroid Optical Metamaterials: Calculating the Effective Permittivity of Multidomain Samples

JA Dolan, M Saba, R Dehmel, I Gunkel, Y Gu, U Wiesner, O Hess, TD Wilkinson, JJ Baumberg, U Steiner, BD Wilts

ACS Photonics

(2016)

1888

(doi: 10.1021/acsphotonics.6b00400)

Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.

W Xue, Z-W Qu, S Grimme, M Oestreich

J Am Chem Soc

(2016)

138

14222

(doi: 10.1021/jacs.6b09596)

Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP.

K Märker, S Paul, C Fernández-de-Alba, D Lee, J-M Mouesca, S Hediger, G De Paëpe

Chem Sci

(2016)

974

(doi: 10.1039/c6sc02709a)

On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures.

JR Espinosa, JM Young, H Jiang, D Gupta, C Vega, E Sanz, PG Debenedetti, AZ Panagiotopoulos

Journal of Chemical Physics

(2016)

145

154111

(doi: 10.1063/1.4964725)

Scaling and dimensionality in the chemical kinetics of protein filament formation

TCT Michaels, AJ Dear, TPJ Knowles

International Reviews in Physical Chemistry

(2016)

679

(doi: 10.1080/0144235X.2016.1239335)

Graphene quantum dots with visible light absorption of the carbon core: insights from single-particle spectroscopy and first principles based theory

S Ghosh, M Awasthi, M Ghosh, M Seibt, TA Niehaus

2D Materials

(2016)

041008

(doi: 10.1088/2053-1583/3/4/041008)

Predicting Genes Involved in Human Cancer Using Network Contextual Information

H Rahmani, H Blockeel, A Bender

Journal of Integrative Bioinformatics

(2016)

(doi: 10.1515/jib-2012-210)

Additional rare variant analysis in Parkinson's disease cases with and without known pathogenic mutations: evidence for oligogenic inheritance

SJ Lubbe, V Escott-Price, JR Gibbs, MA Nalls, J Bras, TR Price, A Nicolas, IE Jansen, KY Mok, AM Pittman, JE Tomkins, PA Lewis, AJ Noyce, S Lesage, M Sharma, ER Schiff, AP Levine, A Brice, T Gasser, J Hardy, P Heutink, NW Wood, AB Singleton, NM Williams, HR Morris, for International Parkinson’s Disease Genomics Consortium

Hum Mol Genet

(2016)

ddw348

(doi: 10.1093/hmg/ddw348)

Effects of Medroxyprogesterone Acetate on Gene Expression in Myometrial Explants from Pregnant Women

Y Cordeaux, M Tattersall, DS Charnock-Jones, GCS Smith

Endocrine Reviews

(2016)

778

(doi: 10.1210/edrv.31.5.9992)

Flexible Photonic Cellulose Nanocrystal Films.

G Guidetti, S Atifi, S Vignolini, WY Hamad