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Currently displaying 18541 - 18560 of 29867 publications

Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism

M Schmidtmann, MJ Gutmann, DS Middlemiss, CC Wilson

Crystengcomm

(2007)

743

(doi: 10.1039/b709136m)

Small energy differences in molecular crystals: A first principles study of tautomerism and dynamics in benzoic acid derivatives

DS Middlemiss, M Facchini, CA Morrison, CC Wilson

CrystEngComm

(2007)

777

(doi: 10.1039/b703181e)

The temperature-dependence of elementary reaction rates: beyond Arrhenius.

IWM Smith

Chem. Soc. Rev.

(2007)

812

(doi: 10.1039/b704257b)

Bis(triethylammonium)4,4′-diaminotrans-stilbene-2,2′-disulfonate

S Dufresne, M Gaultois, WG Skene

Acta Crystallographica Section E: Crystallographic Communications

(2007)

o3926

(doi: 10.1107/S1600536807041360)

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint.

A Bender, DW Young, JL Jenkins, M Serrano, D Mikhailov, PA Clemons, JW Davies

Comb Chem High Throughput Screen

(2007)

719

(doi: 10.2174/138620707782507313)

Using terahertz time-domain spectroscopy to identify pharmaceutical cocrystals

EPJ Parrott, KL Nguyen, T Friscic, JA Zeitler, M Pepper, W Jones, LF Gladden

Irmmw Thz2007 Conference Digest of the Joint 32nd International Conference on Infrared and Millimetre Waves and 15th International Conference on Terahertz Electronics

(2007)

660

(doi: 10.1109/icimw.2007.4516670)

Vibrational frequencies of CO on Pt(111) in electric field: A periodic DFT study

AY Lozovoi, A Alavi

Journal of Electroanalytical Chemistry

(2007)

607

140

(doi: 10.1016/j.jelechem.2007.02.030)

The unhappy marriage of transition and noble metal atoms: A new way to enhance catalytic activity? (A perspective on: "When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces" by O.R. Inderwildi, S.J. Jenkins, D.A. King)

A Michaelides

Surface Science

(2007)

601

3529

(doi: 10.1016/j.susc.2007.06.065)

When adding an unreactive metal enhances catalytic activity:: NO_x decomposition over silver-rhodium bimetallic surfaces

OR Inderwildi, SJ Jenkins, DA King

Surface Science

(2007)

601

l103

(doi: 10.1016/j.susc.2007.06.031)

Redox free energies and one-electron energy levels in density functional theory based ab initio molecular dynamics

J VandeVondele, R Ayala, M Sulpizi, M Sprik

Journal of Electroanalytical Chemistry

(2007)

607

113

(doi: 10.1016/j.jelechem.2007.01.009)

Electrochemical Characteristics of Polyelectrolyte Brushes with Electroactive Counterions

E-Y Choi, O Azzaroni, N Cheng, F Zhou, T Kelby, WTS Huck

Langmuir : the ACS journal of surfaces and colloids

(2007)

10389

(doi: 10.1021/la7015116)

The distribution of residues in a polypeptide sequence is a determinant of aggregation optimized by evolution

E Monsellier, M Ramazzotti, PP de Laureto, G-G Tartaglia, N Taddei, A Fontana, M Vendruscolo, F Chiti

Biophys J

(2007)

4382

(doi: 10.1529/biophysj.107.111336)

The role of the turn in β‐hairpin formation during WW domain folding

T Sharpe, AL Jonsson, TJ Rutherford, V Daggett, AR Fersht

Protein science : a publication of the Protein Society

(2007)

2233

(doi: 10.1110/ps.073004907)

Reversible self-assembly of patchy particles into monodisperse icosahedral clusters

AW Wilber, JPK Doye, AA Louis, EG Noya, MA Miller, P Wong

Journal of Chemical Physics

(2007)

127

085106

(doi: 10.1063/1.2759922)

Synthesis, Characterisation and Luminescent Properties of Lanthanide‐Organic Polymers with Picolinic and Glutaric Acids

PI Girginova, FAA Paz, PCR Soares‐Santos, RAS Ferreira, LD Carlos, VS Amaral, J Klinowski, HIS Nogueira, T Trindade

European Journal of Inorganic Chemistry

(2007)

2007

4238

(doi: 10.1002/ejic.200601213)

A self-assembly approach to chemical micropatterning of poly(dimethylsiloxane).

ML van Poll, F Zhou, M Ramstedt, L Hu, WTS Huck

Angewandte Chemie (International ed. in English)

(2007)

6634

(doi: 10.1002/anie.200702286)

Synthesis and structure-affinity relationships of new 4-(6-iodo-H-imidazo[1,2-a]pyridin-2-yl)-N-dimethylbenzeneamine derivatives as ligands for human beta-amyloid plaques.

L Cai, J Cuevas, S Temme, MM Herman, C Dagostin, DA Widdowson, RB Innis, VW Pike

Journal of Medicinal Chemistry

(2007)

4746

(doi: 10.1021/jm0702231)