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Currently displaying 14021 - 14040 of 30236 publications

Towards an exact description of electronic wavefunctions in real solids

GH Booth, A Grüneis, G Kresse, A Alavi

Nature

(2012)

493

365

(doi: 10.1038/nature11770)

Quantum simulation of low-temperature metallic liquid hydrogen

J Chen, X-Z Li, Q Zhang, MIJ Probert, CJ Pickard, RJ Needs, A Michaelides, E Wang

(2012)

(doi: 10.48550/arxiv.1212.4554)

In vivo translation rates can substantially delay the cotranslational folding of the Escherichia coli cytosolic proteome.

P Ciryam, RI Morimoto, M Vendruscolo, CM Dobson, EP O'Brien

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

(2012)

110

E132

(doi: 10.1073/pnas.1213624110)

One-pot synthesis of dihydrobenzisoxazoles from hydroxylamines, acetylenedicarboxylates, and arynes via in situ generation of nitrones

P Li, C Wu, J Zhao, Y Li, W Xue, F Shi

Canadian Journal of Chemistry

(2012)

(doi: 10.1139/cjc-2012-0199)

Facile preparation of mono-, di- and mixed-carboxylato platinum(IV) complexes for versatile anticancer prodrug design.

JZ Zhang, P Bonnitcha, E Wexselblatt, AV Klein, Y Najajreh, D Gibson, TW Hambley

Chemistry A European Journal

(2012)

1672

(doi: 10.1002/chem.201203159)

Quantification of local geometry and local symmetry in models of disordered materials

MJ Cliffe, AL Goodwin

Physica Status Solidi B Basic Research

(2012)

250

949

(doi: 10.1002/pssb.201248553)

The formation of hydrogen-bond facilitated salts with tunable optical properties: An experimental and theoretical study of 2,4,5-triphenylimidazole

D Yan, B Patel, A Delori, W Jones, X Duan

Crystal Growth and Design

(2012)

333

(doi: 10.1021/cg3014927)

A family of simple benzene 1,3,5-tricarboxamide (BTA) aromatic carboxylic acid hydrogels

RCT Howe, AP Smalley, APM Guttenplan, MWR Doggett, MD Eddleston, JC Tan, GO Lloyd

Chem Commun (Camb)

(2012)

4268

(doi: 10.1039/c2cc37428e)

An expeditious synthesis of imatinib and analogues utilising flow chemistry methods

MD Hopkin, IR Baxendale, SV Ley

Org Biomol Chem

(2012)

1822

(doi: 10.1039/c2ob27002a)

The synthesis of Bcr-Abl inhibiting anticancer pharmaceutical agents imatinib, nilotinib and dasatinib.

BJ Deadman, MD Hopkin, IR Baxendale, SV Ley

Org. Biomol. Chem.

(2012)

1766

(doi: 10.1039/c2ob27003j)

Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid-Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations.

M Sulpizi, M Salanne, M Sprik, M-P Gaigeot

Journal of Physical Chemistry Letters

(2012)

(doi: 10.1021/jz301858g)