Publications | Yusuf Hamied Department of Chemistry

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Currently displaying 13741 - 13760 of 30651 publications

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

W Yang, P Mori-Sánchez, AJ Cohen

The Journal of chemical physics

(2013)

139

104114

(doi: 10.1063/1.4817183)

Acylthioureas as anion transporters: The effect of intramolecular hydrogen bonding

CJE Haynes, N Busschaert, IL Kirby, J Herniman, ME Light, NJ Wells, I Marques, V Félix, PA Gale

Org Biomol Chem

(2013)

12

62

(doi: 10.1039/c3ob41522h)

Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation.

A De Simone, M Gustavsson, RW Montalvao, L Shi, G Veglia, M Vendruscolo

Biochemistry

(2013)

52

6684

(doi: 10.1021/bi400517b)

Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling

DJ Wales

Chemical Physics Letters

(2013)

584

1

(doi: 10.1016/j.cplett.2013.07.066)

Surface swarming motility by Pectobacterium atrosepticum is a latent phenotype that requires O antigen and is regulated by quorum sensing

SD Bowden, N Hale, JCS Chung, JT Hodgkinson, DR Spring, M Welch

Microbiology (Reading)

(2013)

159

2375

(doi: 10.1099/mic.0.070748-0)

Characterization of the lnterdomain Motions in Hen Lysozyme Using Residual Dipolar Couplings as Replica-Averaged Structural Restraints in Molecular Dynamics Simulations

A De Simone, RW Montalvao, CM Dobson, M Vendruscolo

Biochemistry

(2013)

52

6480

(doi: 10.1021/bi4007513)

A relationship between the aggregation rates of α-synuclein variants and the β-sheet populations in their monomeric forms

C Camilloni, M Vendruscolo

The journal of physical chemistry. B

(2013)

117

10737

(doi: 10.1021/jp405614j)

Water and ice at surfaces

A Michaelides

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

Insights into chromatin architecture by mesoscale modeling of oligonucleosomes

AL Santolaria, R Collepardo-Guevara, S Grigoryev, T Schlick

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

Neurochemically gated activity of gyromagnetic nanostars

Q Wei, T-C Lee, E Appel, H-M Song, OA Scherman, A Wei

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

OPSIN: Taming the jungle of IUPAC chemical nomenclature

DM Lowe, P Murray-Rust, RC Glen

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

Energy landscapes and tunneling splittings for water clusters

DJ Wales

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

Adventures in drug discovery: For now we see through a glass, darkly

RC Glen

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

Ion mobility spectrometry of nucleic acid higher-order structures

G Portella, A Arcella, A Marchand, A Burmistrova, F Rosu, E De Pauw, M Orozco, V Gabelica

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2013)

246

A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage

Y Lv, M Yao, JP Holgado, T Roth, A Steiner, L Gan, RM Lambert, DS Wright

Rsc Advances

(2013)

3

13659

(doi: 10.1039/c3ra41524d)

Continuous Flow-Processing of Organometallic Reagents Using an Advanced Peristaltic Pumping System and the Telescoped Flow Synthesis of (E/Z)‑Tamoxifen

PRD Murray, DL Browne, JC Pastre, C Butters, D Guthrie, SV Ley

Organic Process Research and Development

(2013)

17

1192

(doi: 10.1021/op4001548)

Global sea-to-air flux climatology for bromoform, dibromomethane and methyl iodide

F Ziska, B Quack, K Abrahamsson, SD Archer, E Atlas, T Bell, JH Butler, LJ Carpenter, CE Jones, NRP Harris, H Hepach, KG Heumann, C Hughes, J Kuss, K Krüger, P Liss, RM Moore, A Orlikowska, S Raimund, CE Reeves, W Reifenhäuser, AD Robinson, C Schall, T Tanhua, S Tegtmeier, S Turner, L Wang, D Wallace, J Williams, H Yamamoto, S Yvon-Lewis, Y Yokouchi

Atmospheric Chemistry and Physics

(2013)

13

8915

(doi: 10.5194/acp-13-8915-2013)

Oxidative bisulfite sequencing of 5-methylcytosine and 5-hydroxymethylcytosine.

MJ Booth, TWB Ost, D Beraldi, NM Bell, MR Branco, W Reik, S Balasubramanian

Nat Protoc

(2013)

8

1841

(doi: 10.1038/nprot.2013.115)

Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling.

A Reinhardt, JPK Doye

The Journal of Chemical Physics

(2013)

139

096102

(doi: 10.1063/1.4819898)

An investigation into relative humidity measurement using an aluminosilicate sol-gel thin film as the active layer in an integrated optical Bragg grating refractometer

DJ Wales, RM Parker, JC Gates, MC Grossel, PGR Smith

Sensors and Actuators B: Chemical

(2013)

188

857

(doi: 10.1016/j.snb.2013.07.089)