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Currently displaying 5981 - 6000 of 29458 publications

ESPResSo++2.0: Advanced methods for multiscale molecular simulation

HV Guzman, N Tretyakov, H Kobayashi, AC Fogarty, K Kreis, J Krajniak, C Junghans, K Kremer, T Stuehn

– Computer Physics Communications

(2019)

238,

(doi: 10.1016/j.cpc.2018.12.017)

Computational advances in combating colloidal aggregation in drug discovery

D Reker, GJL Bernardes, T Rodrigues

– Nature Chemistry

(2019)

11,

402

(doi: 10.1038/s41557-019-0234-9)

Sustainability of using vineyard pruning residues as an energy source: Combustion performances and environmental impact

C Giorio, S Pizzini, E Marchiori, R Piazza, S Grigolato, M Zanetti, R Cavalli, M Simoncin, L Soldà, D Badocco, A Tapparo

– Fuel

(2019)

243,

371

(doi: 10.1016/j.fuel.2019.01.128)

Experimental Demonstration of Staggered CAP Modulation for Low Bandwidth Red-Emitting Polymer-Led based Visible Light Communications

PA Haigh, A Minotto, A Burton, Z Ghassemlooy, P Murto, Z Genene, W Mammo, MR Andersson, E Wang, F Cacialli, I Darwazeh

– 2019 IEEE International Conference on Communications Workshops (ICC Workshops)

(2019)

00,

(doi: 10.1109/iccw.2019.8757114)

Carboxylate-Assisted Oxidative Addition to Aminoalkyl Pd^II Complexes: C(sp³)-H Arylation of Alkylamines by Distinct Pd^II/Pd^IV Pathway

MJ Gaunt, W Whitehurst, JH Blackwell, G Hermann

– Angewandte Chemie International Edition

(2019)

58,

9054

(doi: 10.1002/anie.201902838)

Advancing Techniques for Investigating the Enzyme-Electrode Interface.

N Kornienko, KH Ly, WE Robinson, N Heidary, JZ Zhang, E Reisner

– Acc Chem Res

(2019)

52,

1439

(doi: 10.1021/acs.accounts.9b00087)

A light-driven burst of hydroxyl radicals dominates oxidation chemistry in newly activated cloud droplets

SE Paulson, PJ Gallimore, XM Kuang, JR Chen, M Kalberer, DH Gonzalez

– Science Advances

(2019)

eaav7689

(doi: 10.1126/sciadv.aav7689)

Enantiopure [Cs

D Zhang, TK Ronson, JL Greenfield, T Brotin, P Berthault, E Léonce, J-L Zhu, L Xu, JR Nitschke

– J Am Chem Soc

(2019)

141,

8339

(doi: 10.1021/jacs.9b02866)

Bi-Gaussian Stratified Wetting Model on Rough Surfaces.

S Hu, T Reddyhoff, D Puhan, S-C Vladescu, W Huang, X Shi, D Dini, Z Peng

– Langmuir

(2019)

35,

5967

(doi: 10.1021/acs.langmuir.9b00107)

Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations.

V Kapil, J Wieme, S Vandenbrande, A Lamaire, V Van Speybroeck, M Ceriotti

– Journal of chemical theory and computation

(2019)

15,

3237

(doi: 10.1021/acs.jctc.8b01297)

Supplementary material to "Revised estimate of particulate emissions from Indonesian peat fires in 2015"

L Kiely, DV Spracklen, C Wiedinmyer, L Conibear, CL Reddington, S Archer-Nicholls, D Lowe, SR Arnold, C Knote, MF Khan, MT Latif, M Kuwata, SH Budisulistiorini, L Syaufina

(2019)

(doi: 10.5194/acp-2019-323-supplement)

Revised estimate of particulate emissions from Indonesian peat fires in 2015

L Kiely, DV Spracklen, C Wiedinmyer, L Conibear, CL Reddington, S Archer-Nicholls, D Lowe, SR Arnold, C Knote, MF Khan, MT Latif, M Kuwata, SH Budisulistiorini, L Syaufina

– Atmospheric Chemistry and Physics Discussions

(2019)

(doi: 10.5194/acp-2019-323)

Automated Acceleration of Dataflow-oriented C Applications on FPGA-based Systems

F Peverelli, M Rabozzi, S Cardamone, E Del Sozzo, AJW Thom, MD Santambrogio, L Di Tucci

– 2019 IEEE 27th Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)

(2019)

00,

313

(doi: 10.1109/FCCM.2019.00054)

Caco‑2 Monolayer Permeability and Stability of Chamaelirium luteum (False Unicorn) Open-Chain Steroidal Saponins

TP Stockdale, VL Challinor, RP Lehmann, JJ De Voss, JT Blanchfield