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Currently displaying 6721 - 6740 of 29346 publications

Nonlinear biases, stochastically sampled effective Hamiltonians, and spectral functions in quantum Monte Carlo methods

NS Blunt, A Alavi, GH Booth

– Physical Review B

(2018)

98,

085118

(doi: 10.1103/PhysRevB.98.085118)

Isolated Zr Surface Sites on Silica Promote Hydrogenation of CO2 to CH3OH in Supported Cu Catalysts.

E Lam, K Larmier, P Wolf, S Tada, OV Safonova, C Copéret

– J Am Chem Soc

(2018)

140,

10530

(doi: 10.1021/jacs.8b05595)

Targeting Amyloid Aggregation: An Overview of Strategies and Mechanisms

S Giorgetti, C Greco, P Tortora, FA Aprile

(2018)

(doi: 10.20944/preprints201808.0155.v1)

Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials.

L Li, T Totton, D Frenkel

– Journal of Chemical Physics

(2018)

149,

054102

(doi: 10.1063/1.5040366)

Coordination Cages Based on Bis(pyrazolylpyridine) Ligands: Structures, Dynamic Behavior, Guest Binding, and Catalysis.

MD Ward, CA Hunter, NH Williams

– Accounts of Chemical Research

(2018)

51,

2073

(doi: 10.1021/acs.accounts.8b00261)

1064 nm Dispersive Raman Microspectroscopy and Optical Trapping of Pharmaceutical Aerosols.

PJ Gallimore, NM Davidson, M Kalberer, FD Pope, AD Ward

– Analytical chemistry

(2018)

90,

8838

(doi: 10.1021/acs.analchem.8b00817)

Relaxation of long-lived modes in NMR of deuterated methyl groups.

KL Ivanov, T Kress, M Baudin, D Guarin, D Abergel, G Bodenhausen, D Kurzbach

– J Chem Phys

(2018)

149,

054202

(doi: 10.1063/1.5031177)

Two‐Component Stapling of Biologically Active and Conformationally Constrained Peptides: Past, Present, and Future

J Iegre, JS Gaynord, NS Robertson, HF Sore, M Hyvönen, DR Spring

– Advanced Therapeutics

(2018)

1800052

(doi: 10.1002/adtp.201800052)

Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing

S Cardamone, JR Kimmitt, HGA Burton, AJW Thom

(2018)

(doi: 10.48550/arxiv.1808.02402)

One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes

M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann

– Angewandte Chemie

(2018)

130,

11823

(doi: 10.1002/ange.201805856)

Synthesis and characterisation of peroxypinic acids as proxies for highly oxygenated molecules (HOMs) in secondary organic aerosol

SS Steimer, A Delvaux, SJ Campbell, PJ Gallimore, P Grice, DJ Howe, D Pitton, M Claeys, T Hoffmann, M Kalberer

– Atmospheric Chemistry and Physics

(2018)

18,

10973

(doi: 10.5194/acp-18-10973-2018)

One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes

M Hart, J Chen, A Michaelides, A Sella, MSP Shaffer, CG Salzmann

– Angewandte Chemie International Edition

(2018)

57,

11649

(doi: 10.1002/anie.201805856)

Measuring Lactase Enzymatic Activity in the Teaching Lab.

CS Leksmono, C Manzoni, JE Tomkins, W Lucchesi, G Cottrell, PA Lewis

– Journal of visualized experiments : JoVE

(2018)

2018,

54377

(doi: 10.3791/54377)

Facet-Resolved Electrochemistry of Polycrystalline Boron-Doped Diamond Electrodes: Microscopic Factors Determining the Solvent Window in Aqueous Potassium Chloride Solutions

DQ Liu, CH Chen, D Perry, G West, SJ Cobb, JV Macpherson, PR Unwin

– ChemElectroChem

(2018)

3028

(doi: 10.1002/celc.201800770)

Exploring classes of co-solvents for fast-charging lithium-ion cells

DS Hall, A Eldesoky, ER Logan, EM Tonita, X Ma, JR Dahn

– Journal of the Electrochemical Society

(2018)

165,

a2365

(doi: 10.1149/2.1351810jes)