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Currently displaying 8201 - 8220 of 29383 publications

First-principles simulations of vibrational decay and lifetimes ina-Si:H anda-Si:D

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

– Physical Review B

(2017)

95,

104205

(doi: 10.1103/PhysRevB.95.104205)

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

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

– The Journal of Chemical Physics

(2017)

146,

114504

(doi: 10.1063/1.4978499)

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 (Weinheim an der Bergstrasse, Germany)

(2017)

23,

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)

(link to publication)

Correlating Carrier Density and Emergent Plasmonic Features in Cu2-xSe Nanoparticles

LE Marbella, XY Gan, DC Kaseman, JE Millstone

– Nano letters

(2017)

17,

2414

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

What Makes Telomeres Unique?

AK Sieradzan, P Krupa, DJ Wales

– Journal of Physical Chemistry B

(2017)

121,

2207

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

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

– Molecular cell

(2017)

65,

1096

(doi: 10.1016/j.molcel.2017.02.022)

Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2 O3 )1-6 AlO2.

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

– Chemphyschem

(2017)

18,

868

(doi: 10.1002/cphc.201700089)

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)

Downstream Processability of Crystal Habit-Modified Active Pharmaceutical Ingredient

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

– Organic Process Research & Development

(2017)

21,

571

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

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)

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

M Rahaman, A Dutta, P Broekmann

– ChemSusChem

(2017)

10,

1733

(doi: 10.1002/cssc.201601778)

Multisite aggregation of p53 and implications for drug rescue.

G Wang, AR Fersht

– Proceedings of the National Academy of Sciences of the United States of America

(2017)

114,

E2634

(doi: 10.1073/pnas.1700308114)

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)

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

K Röder, DJ Wales

– Journal of chemical theory and computation

(2017)

13,

1468

(doi: 10.1021/acsjctc.7b00024)

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)