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Currently displaying 13141 - 13160 of 29910 publications

Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}

K Liao, V Fiorin, DSD Gunn, SJ Jenkins, DA King

Physical Chemistry Chemical Physics

(2013)

4059

(doi: 10.1039/c3cp43836h)

JOYCE and ULYSSES: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data

V Barone, I Cacelli, N De Mitri, D Licari, S Monti, G Prampolini

Physical chemistry chemical physics : PCCP

(2013)

3736

(doi: 10.1039/c3cp44179b)

Hydration, acidity and metal complexing of polysulfide species: A first principles molecular dynamics study

X Liu, M Sprik, J Cheng

Chemical Physics Letters

(2013)

563

(doi: 10.1016/j.cplett.2013.01.046)

Understanding the Conduction Mechanism of the Protonic Conductor CsH2PO4 by Solid-State NMR Spectroscopy

G Kim, F Blanc, Y-Y Hu, CP Grey

The Journal of Physical Chemistry C

(2013)

117

6504

(doi: 10.1021/jp312410t)

A study of the impact of land-use change in Borneo on atmospheric composition using a global model

NJ Warwick, AT Archibald, K Ashworth, J Dorsey, PM Edwards, DE Heard, B Langford, J Lee, PK Misztal, JLK Whalley, JA Pyle

Atmospheric Chemistry and Physics Discussions

(2013)

7431

(doi: 10.5194/acpd-13-7431-2013)

Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning.

AJ Pell, RJ Clément, CP Grey, L Emsley, G Pintacuda

Journal of Chemical Physics

(2013)

138

114201

(doi: 10.1063/1.4795001)

Selective detection of tetrahedral units in amorphous GeTe-based phase change alloys using Ge L3-edge x-ray absorption near-edge structure spectroscopy

M Krbal, AV Kolobov, P Fons, KV Mitrofanov, Y Tamenori, J Hegedüs, SR Elliott, J Tominaga

Applied Physics Letters

(2013)

102

111904

(doi: 10.1063/1.4794870)

Real-time single-molecule imaging reveals a direct interaction between UvrC and UvrB on DNA tightropes

CD Hughes, H Wang, H Ghodke, M Simons, A Towheed, Y Peng, B Van Houten, NM Kad

Nucleic Acids Res

(2013)

4901

(doi: 10.1093/nar/gkt177)

Atomic structure and hierarchical assembly of a cross-β amyloid fibril

AWP Fitzpatrick, GT Debelouchina, MJ Bayro, DK Clare, MA Caporini, VS Bajaj, CP Jaroniec, L Wang, V Ladizhansky, SA Müller, CE MacPhee, CA Waudby, HR Mott, A De Simone, TPJ Knowles, HR Saibil, M Vendruscolo, EV Orlova, RG Griffin, CM Dobson

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

(2013)

110

5468

(doi: 10.1073/pnas.1219476110)

STRUCTURAL BIOLOGY: Protein self-assembly intermediates

M Vendruscolo, CM Dobson

Nat Chem Biol

(2013)

216

(doi: 10.1038/nchembio.1210)

Trifluoromethylation of 1-Aryl-3,3-diisopropyltriazenes

A Hafner, S Bräse

Advanced Synthesis & Catalysis

(2013)

355

996

(doi: 10.1002/adsc.201201040)

Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

DS Stevenson, PJ Young, V Naik, J-F Lamarque, DT Shindell, A Voulgarakis, RB Skeie, SB Dalsoren, G Myhre, TK Berntsen, GA Folberth, ST Rumbold, WJ Collins, IA MacKenzie, RM Doherty, G Zeng, TPC van Noije, A Strunk, D Bergmann, P Cameron-Smith, DA Plummer, SA Strode, L Horowitz, YH Lee, S Szopa, K Sudo, T Nagashima, B Josse, I Cionni, M Righi, V Eyring, A Conley, KW Bowman, O Wild, A Archibald

Atmospheric Chemistry and Physics

(2013)

3063

(doi: 10.5194/acp-13-3063-2013)

Ultratrace determination of total and available cyanides in industrial wastewaters through a rapid headspace-based sample preparation and gas chromatography with nitrogen phosphorous detection analysis

D Marton, A Tapparo, VB Di Marco, C Repice, C Giorio, S Bogialli

Journal of Chromatography A

(2013)

1300

209

(doi: 10.1016/j.chroma.2013.03.004)