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  • Currently displaying 9601 - 9620 of 29867 publications
Author(s)
Publication title
Journal Name
Publication year
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
Journal of chemical theory and computation
(2016)
12
Numerical Evidence for Thermally Induced Monopoles
P Wirnsberger, D Fijan, RA Lightwood, A Šarić, C Dellago, D Frenkel
(2016)
How to fold intricately: using theory and experiments to unravel the properties of knotted proteins
SE Jackson, A Suma, C Micheletti
(2016)
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)
16
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)
6
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
Anal Chem
(2016)
88
Numerical test of the Edwards conjecture shows that all packings are equally probable at jamming
S Martiniani, KJ Schrenk, K Ramola, B Chakraborty, D Frenkel
Nature Physics, 13(9), 848 (2017)
(2016)
ChemInform Abstract: Novel Properties and Potential Applications of Functional Ligand‐Modified Polyoxotitanate Cages
N Li, PD Matthews, H Luo, DS Wright
ChemInform
(2016)
47
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
Chemical science
(2016)
8
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
Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.
W Xue, Z-W Qu, S Grimme, M Oestreich
Journal of the American Chemical Society
(2016)
138
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)
3
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
Bioconjug Chem
(2016)
27
Scaling and dimensionality in the chemical kinetics of protein filament formation
TCT Michaels, AJ Dear, TPJ Knowles
International Reviews in Physical Chemistry
(2016)
35
Predicting Genes Involved in Human Cancer Using Network Contextual Information
H Rahmani, H Blockeel, A Bender
J Integr Bioinform
(2016)
9
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)
3
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
Human molecular genetics
(2016)
25
Assessment of the nematocidal activity of metallocenyl analogues of monepantel
J Hess, M Patra, A Jabbar, V Pierroz, S Konatschnig, B Spingler, S Ferrari, RB Gasser, G Gasser
Dalton transactions (Cambridge, England : 2003)
(2016)
45
Combination of Enabling Technologies to Improve and Describe the Stereoselectivity of Wolff–Staudinger Cascade Reaction
B Musio, F Mariani, EP Śliwiński, MA Kabeshov, H Odajima, SV Ley
Synthesis
(2016)
48
Flexible Photonic Cellulose Nanocrystal Films
G Guidetti, S Atifi, S Vignolini, WY Hamad
Advanced Materials
(2016)
28