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Currently displaying 21501 - 21520 of 30140 publications

Quantum Dynamics at Conical Intersections

SC Althorpe, GA Worth

(2004)

Conformational dynamics of OmpA: MD simulations of a bacterial outer membrane protein

PJ Bond, MSP Sansom

BIOPHYSICAL JOURNAL

(2004)

257A

Preface - In honor of Professor Leo A. Paquette and on the occasion of his 70th birthday

SV Ley

HETEROCYCLES

(2004)

Cubatic phase for tetrapods

R Blaak, BM Mulder, D Frenkel

(2004)

(doi: 10.48550/arxiv.cond-mat/0401003)

Combined NMR and XAS study on local environments and electronic structures of electrochemically Li-ion deintercalated Li_1-xCo_1/3Ni_1/3Mn_1/3O₂ electrode system

W-S Yoon, CP Grey, M Balasubramanian, X-Q Yang, DA Fischer, J McBreen

Electrochemical and Solid State Letters

(2004)

a53

(doi: 10.1149/1.1643592)

Using simulations to study vibrational relaxation of molecules in liquids

RM Lynden-Bell, FS Zhang

NOVEL APPROACHES TO THE STRUCTURE AND DYNAMICS OF LIQUIDS: EXPERIMENTS, THEORIES AND SIMULATIONS

(2004)

323

Structural dissection of alkaline‐denatured pepsin

YO Kamatari, CM Dobson, T Konno

Spectroscopy

(2004)

227

(doi: 10.1155/2004/769354)

The synthesis of (-)-gloeosporone, a potent fungal autoinhibitor of spore germination using a pi-allyltricarbonyl-iron lactone complex and a new reductive decomplexation procedure for the installation of the embedded 1,7-diol component of the natural product

S V. Ley, E Cleator, J Harter

Heterocycles

(2004)

619

(doi: 10.3987/com-03-s(p)55)

High Resolution Electron Microscopy of the High‐Tc Superconductor Bi2 + xSr2Ca1 − xCu2O8 + δ

W Zhou, AI Kirkland, KD Mackay, AR Armstrong, MR Harrison, DA Jefferson, WY Liang, PP Edwards

Angewandte Chemie International Edition

(2003)

810

(doi: 10.1002/anie.198908101)

A Joint Structural Characterization of Colloidal Platinum by EXAFS and High‐Resolution Electron Microscopy

DG Duff, PP Edwards, J Evans, JT Gauntlett, DA Jefferson, BFG Johnson, AI Kirkland, DJ Smith

Angewandte Chemie International Edition in English

(2003)

590

(doi: 10.1002/anie.198905901)

Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier.

A Bender, HY Mussa, RC Glen, S Reiling

Journal of Chemical Information and Modeling

(2003)

170

(doi: 10.1021/ci034207y)

Hypothetical Uninodal Zeolite Structures: Comparison of AlPO₄ and SiO₂ Compositions Using Computer Simulation

A Simperler, MD Foster, RG Bell, J Klinowski

Journal of Physical Chemistry B

(2003)

108

869

(doi: 10.1021/jp035936j)

[PhLiNCH2CH2NLiPh]· 3 HMPA, a Monomeric Dilithiumethylenediamide Complex with N2Li2 Double Bridging: Synthesis, Crystal Structure, and Model MO Calculations

DR Armstrong, D Barr, AT Brooker, W Clegg, K Gregory, SM Hodgson, R Snaith, DS Wright

Angewandte Chemie International Edition in English

(2003)

410

(doi: 10.1002/anie.199004101)