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Currently displaying 17081 - 17100 of 30147 publications

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, D Donadio, F Marinelli, F Pietrucci, RA Broglia, M Parrinello

Computer Physics Communications

(2009)

180

1961

(doi: 10.1016/j.cpc.2009.05.011)

Four-Dimensional Visualization of Thoracic Blood Flow by Magnetic Resonance Imaging in a Patient Following Correction of Transposition of the Great Arteries (d-TGA) and Uncorrected Aortic Coarctation

J Ley-Zaporozhan, R Unterhinninghofen, F Rengier, M Markl, J Eichhorn, H von Tengg-Kobligk, S Ley

Acta Radiologica

(2009)

909

(doi: 10.1080/02841850903061437)

State-to-state reactive scattering using reactant-product decoupling

MT Cvitaš, SC Althorpe

Physica Scripta

(2009)

048115

(doi: 10.1088/0031-8949/80/04/048115)

E-WorkBook for Chemistry

TK Dickens

Chemistry World

(2009)

Simulations of imidazolium ionic liquids: when does the cation charge distribution matter?

RM Lynden-Bell, TGA Youngs

Journal of Physics: Condensed Matter

(2009)

424120

(doi: 10.1088/0953-8984/21/42/424120)

Fischer-Tropsch synthesis of liquid fuels: learning lessons from homogeneous catalysis

OR Inderwildi, DA King, SJ Jenkins

Physical Chemistry Chemical Physics

(2009)

11110

(doi: 10.1039/b915696h)

Palladium-catalysed ortho-arylation of carbamate-protected phenols

RB Bedford, RL Webster, CJ Mitchell

Organic & Biomolecular Chemistry

(2009)

4853

(doi: 10.1039/b916724m)

Alkali/coinage metals—organolithium, organocuprate chemistry

J Haywood, AEH Wheatley

Organometallic Chemistry

(2009)

130

(doi: 10.1039/b801381k)

Group 2 (Be-Ba) and group 12 (Zn-Hg)

F García, DS Wright

Organometallic Chemistry

(2009)

162

(doi: 10.1039/b801378k)

Structural and thermodynamic characterization of pre- and postpolymerization states in the F4 fimbrial subunit FaeG.

I Van Molle, K Moonens, A Garcia-Pino, L Buts, M De Kerpel, L Wyns, J Bouckaert, H De Greve

Journal of Molecular Biology

(2009)

394

957

(doi: 10.1016/j.jmb.2009.09.059)

Fine ash content of explosive eruptions

WI Rose, AJ Durant

Journal of Volcanology and Geothermal Research

(2009)

186

(doi: 10.1016/j.jvolgeores.2009.01.010)

Sedimentological constraints on hydrometeor-enhanced particle deposition: 1992 Eruptions of Crater Peak, Alaska

AJ Durant, WI Rose

Journal of Volcanology and Geothermal Research

(2009)

186

(doi: 10.1016/j.jvolgeores.2009.02.004)

Seed-Conjugated Polymer Bead for β2-Microglobulin Removal at Neutral pH

M Kim, S Kang, E-K Myung, M Ahn, J-H Choi, SR Paik, Y-S Lee

Journal of microbiology and biotechnology

(2009)

960

(doi: 10.4014/jmb.0812.688)

Infrared signatures of the NCCO radical

PR Schreiner, HP Reisenauer, E Mátyus, AG Császár, A Siddiqi, AC Simmonett, WD Allen

Physical Chemistry Chemical Physics

(2009)

10385

(doi: 10.1039/b912803d)

Synthesis of acetal protected building blocks using flow chemistry with flow IR analysis: preparation of butane-2,3-diacetal tartrates

CF Carter, IR Baxendale, M O'Brien, JBJ Pavey, SV Ley

Organic & biomolecular chemistry

(2009)

4594

(doi: 10.1039/b917289k)

Deprotection, Tethering, and Activation of a One-Legged Metalloporphyrin on a Chemically Active Metal Surface: NEXAFS, Synchrotron XPS, and STM Study of [SAc]P−Mn(III)Cl on Ag(100)

M Turner, OPH Vaughan, G Kyriakou, DJ Watson, LJ Scherer, AC Papageorgiou, JKM Sanders, RM Lambert

Journal of the American Chemical Society

(2009)

131

14913

(doi: 10.1021/ja904664e)