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Currently displaying 9901 - 9920 of 30706 publications

Decoding heat capacity features from the energy landscape

DJ Wales

Physical Review E

(2017)

030105

(doi: 10.1103/PhysRevE.95.030105)

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 - Condensed Matter and Materials Physics

(2017)

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 Gd

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

Chemistry – A European Journal

(2017)

4551

(doi: 10.1002/chem.201700886)

Diastereoselective Flexible Synthesis of Carbocyclic C‑Nucleosides

L Maier, P Khirsariya, O Hylse, SK Adla, L Černová, M Poljak, S Krajčovičová, E Weis, S Drápela, K Souček, K Paruch

The Journal of Organic Chemistry

(2017)

3382

(doi: 10.1021/acs.joc.6b02594)

Correlating Carrier Density and Emergent Plasmonic Features in Cu2–x Se 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

RSC Medicinal Chemistry

(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 : a European journal of chemical physics and physical chemistry

(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 & Development

(2017)

571

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

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)

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)

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)

3D structure 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)