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Currently displaying 8621 - 8640 of 29237 publications

Coexistence of low and high overlap phases in a supercooled liquid: An integral equation investigation

J-M Bomont, G Pastore, J-P Hansen

J Chem Phys

(2017)

146

114504

(doi: 10.1063/1.4978499)

First-principles simulations of vibrational decay and lifetimes in a-Si:H and a-Si:D

R Atta-Fynn, DA Drabold, SR Elliott, P Biswas

Physical Review B

(2017)

104205

(doi: 10.1103/physrevb.95.104205)

Field-Induced Slow Magnetic Relaxation of GdIII Complex with a Pt-Gd Heterometallic Bond.

T Yoshida, G Cosquer, DC Izuogu, H Ohtsu, M Kawano, Y Lan, W Wernsdorfer, H Nojiri, BK Breedlove, M Yamashita

Chemistry

(2017)

4551

(doi: 10.1002/chem.201700886)

Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond

C Schran, O Marsalek, TE Markland

(2017)

Correlating Carrier Density and Emergent Plasmonic Features in Cu_2-xSe Nanoparticles.

LE Marbella, XY Gan, DC Kaseman, JE Millstone

Nano letters

(2017)

2414

(doi: 10.1021/acs.nanolett.6b05420)

Identification of an RNA Polymerase III Regulator Linked to Disease-Associated Protein Aggregation

O Sin, T de Jong, A Mata-Cabana, M Kudron, MA Zaini, FA Aprile, RI Seinstra, E Stroo, RW Prins, CN Martineau, HH Wang, W Hogewerf, A Steinhof, EE Wanker, M Vendruscolo, CF Calkhoven, V Reinke, V Guryev, EAA Nollen

Mol Cell

(2017)

1096

(doi: 10.1016/j.molcel.2017.02.022)

What Makes Telomeres Unique?

AK Sieradzan, P Krupa, DJ Wales

The journal of physical chemistry. B

(2017)

121

2207

(doi: 10.1021/acs.jpcb.6b08780)

3D proteochemometrics: using three-dimensional information of proteins and ligands to address aspects of the selectivity of serine proteases.

V Subramanian, QU Ain, H Henno, L-O Pietilä, JE Fuchs, P Prusis, A Bender, G Wohlfahrt

MedChemComm

(2017)

1037

(doi: 10.1039/c6md00701e)

Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al₂O₃)_1-6AlO₂^-

X Song, MR Fagiani, S Gewinner, W Schöllkopf, KR Asmis, FA Bischoff, F Berger, J Sauer

ChemPhysChem

(2017)

868

(doi: 10.1002/cphc.201700089)

Downstream Processability of Crystal Habit-Modified Active Pharmaceutical Ingredient

N Pudasaini, PP Upadhyay, CR Parker, SU Hagen, AD Bond, J Rantanen

Organic Process Research and Development

(2017)

571

(doi: 10.1021/acs.oprd.6b00434)

Transforming the Energy Landscape of a Coiled-Coil Peptide via Point Mutations.

K Röder, DJ Wales

Journal of Chemical Theory and Computation

(2017)

1468

(doi: 10.1021/acsjctc.7b00024)

Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model

T Nemoto, RL Jack, V Lecomte

Physical review letters

(2017)

118

115702

(doi: 10.1103/PhysRevLett.118.115702)

Exciton Coupling of Phenylalanine Reveals Conformational Changes of Cationic Peptides

C Bortolini, L Liu, SV Hoffmann, NC Jones, TPJ Knowles, M Dong

ChemistrySelect

(2017)

2476

(doi: 10.1002/slct.201601916)

Size‐Dependent Activity of Palladium Nanoparticles: Efficient Conversion of CO₂ into Formate at Low Overpotentials

M Rahaman, A Dutta, P Broekmann

ChemSusChem

(2017)

1733

(doi: 10.1002/cssc.201601778)

3D structures of individual mammalian genomes studied by single-cell Hi-C

TJ Stevens, D Lando, S Basu, LP Atkinson, Y Cao, SF Lee, M Leeb, KJ Wohlfahrt, W Boucher, A O’Shaughnessy-Kirwan, J Cramard, AJ Faure, M Ralser, E Blanco, L Morey, M Sanso, MGS Palayret, B Lehner, L Di Croce, A Wutz, B Hendrich, D Klenerman, ED Laue

Nature

(2017)

544

(doi: 10.1038/nature21429)