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Currently displaying 13101 - 13120 of 29670 publications

From Atoms to Fullerene: Stochastic Surface Walking Solution for Automated Structure Prediction of Complex Material.

X-J Zhang, C Shang, Z-P Liu

Journal of chemical theory and computation

(2013)

3252

(doi: 10.1021/ct400238j)

Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121

SA Hudson, S Surade, AG Coyne, KJ McLean, D Leys, AW Munro, C Abell

Chemmedchem

(2013)

1451

(doi: 10.1002/cmdc.201300219)

Enantiomerenreine wasserlösliche [Fe4L6]‐Käfigverbindungen: Wirt‐Gast‐Chemie und katalytische Aktivität

JL Bolliger, AM Belenguer, JR Nitschke

Angewandte Chemie

(2013)

125

8116

(doi: 10.1002/ange.201302136)

Constraints on aerosol processes in climate models from vertically-resolved aircraft observations of black carbon

Z Kipling, P Stier, JP Schwarz, AE Perring, JR Spackman, GW Mann, CE Johnson, PJ Telford

Atmospheric Chemistry and Physics

(2013)

5969

(doi: 10.5194/acp-13-5969-2013)

Computing phase diagrams for a quasicrystal-forming patchy-particle system.

A Reinhardt, F Romano, JPK Doye

Physical Review Letters

(2013)

110

255503

(doi: 10.1103/physrevlett.110.255503)

Citrate occurs widely in healthy and pathological apatitic biomineral: Mineralized articular cartilage, and intimal atherosclerotic plaque and apatitic kidney stones

DG Reid, MJ Duer, GE Jackson, RC Murray, AL Rodgers, CM Shanahan

Calcif Tissue Int

(2013)

253

(doi: 10.1007/s00223-013-9751-5)

Natural aerosol direct and indirect radiative effects

A Rap, CE Scott, DV Spracklen, N Bellouin, PM Forster, KS Carslaw, A Schmidt, G Mann

Geophysical Research Letters

(2013)

3297

(doi: 10.1002/grl.50441)

Sequence-selective DNA recognition with peptide-bisbenzamidine conjugates.

MI Sánchez, O Vázquez, ME Vázquez, JL Mascareñas

Chemistry

(2013)

9923

(doi: 10.1002/chem.201300519)

Plasticization of Poly(vinylpyrrolidone) Thin Films under Ambient Humidity: Insight from Single-Molecule Tracer Diffusion Dynamics

S Bhattacharya, DK Sharma, S Saurabh, S De, A Sain, A Nandi, A Chowdhury

J Phys Chem B

(2013)

117

7771

(doi: 10.1021/jp401704e)

Mechanisms of evolution of avalanches in regular graphs.

TP Handford, FJ Pérez-Reche, SN Taraskin

Physical review. E, Statistical, nonlinear, and soft matter physics

(2013)

062122

(doi: 10.1103/PhysRevE.87.062122)

Thieno[3,2-b]thiophene-diketopyrrolopyrrole Containing Polymers for Inverted Solar Cells Devices with High Short Circuit Currents

H Bronstein, E Collado‐Fregoso, A Hadipour, YW Soon, Z Huang, SD Dimitrov, RS Ashraf, BP Rand, SE Watkins, PS Tuladhar, I Meager, JR Durrant, I McCulloch

Advanced Functional Materials

(2013)

5647

(doi: 10.1002/adfm.201300287)

Photoaffinity Labeling of Small‐Molecule‐Binding Proteins by DNA‐Templated Chemistry

G Li, Y Liu, Y Liu, L Chen, S Wu, Y Liu, X Li

Angewandte Chemie International Edition

(2013)

9544

(doi: 10.1002/anie.201302161)

Laser‐induced volume changes during confocal Raman microscopy of whey‐protein‐stabilized emulsions and their relationship to protein content and particle diameters

M Iljina, SR Euston, HT Bookey

Journal of Raman Spectroscopy

(2013)

1084

(doi: 10.1002/jrs.4337)

Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles

JD Farrell, C Lines, JJ Shepherd, D Chakrabarti, MA Miller, DJ Wales

Soft Matter

(2013)

5407

(doi: 10.1039/c3sm50711d)