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Currently displaying 22241 - 22260 of 31130 publications

2H MAS NMR studies of deuterated goethite (α-FeOOD)

KE Cole, Y Paik, RJ Reeder, M Schoonen, CP Grey

The Journal of Physical Chemistry B

(2004)

108

{6938-6940}

(doi: 10.1021/jp0486090)

Solution-processible conjugated electrophosphorescent polymers

AJ Sandee, CK Williams, NR Evans, JE Davies, CE Boothby, A Köhler, RH Friend, AB Holmes

J Am Chem Soc

(2004)

126

7041

(doi: 10.1021/ja039445o)

Ab initio molecular dynamics study of uracil in aqueous solution

M-P Gaigeot, M Sprik

The Journal of Physical Chemistry B

(2004)

108

7458

(doi: 10.1021/jp049940m)

Transferable polarizabilities for the alkanes

GJ Williams, AJS *

Molecular Physics

(2004)

102

985

(doi: 10.1080/00268970410001723000)

Dynamics in crystals of rigid organic molecules: contrasting the phonon frequencies calculated by molecular dynamics with harmonic lattice dynamics for finidazole and 5-azauracil

AE Gray, GMD †, M Leslie, SLP *

Molecular Physics

(2004)

102

1067

(doi: 10.1080/00268970412331284208)

Some further applications of discrete path sampling to cluster isomerization

DJW *

Molecular Physics

(2004)

102

891

(doi: 10.1080/00268970410001703363)

Linear screening of the electrostatic potential around spherical particles with non-spherical charge patterns

N Hoffmann, CNL *, J-P Hansen

Molecular Physics

(2004)

102

857

(doi: 10.1080/00268970410001695688)

Ammonium cyanate: A DFT study of crystal structure, rotational barriers and vibrational spectrum

AA *, RJC Brown, S Habershon, KDMH *, RLJ *

Molecular Physics

(2004)

102

869

(doi: 10.1080/00268970410001695679)

Special issue: In honour of Ruth Lynden-Bell

A Alavi, JP Hansen

Molecular Physics

(2004)

102

827

(doi: 10.1080/00268970412331286918)

Field-evaporation from first-principles

CGS *, AY lozovoi, A alavi

Molecular Physics

(2004)

102

1045

(doi: 10.1080/00268970410001727673)

An Addressable Antibody Nanoarray Produced on a Nanostructured Surface

A Bruckbauer, D Zhou, D-J Kang, YE Korchev, C Abell, D Klenerman

Journal of the American Chemical Society

(2004)

126

6508

(doi: 10.1021/ja0317426)

Rhodium complexes of sterically demanding diphosphonites: Coordination chemistry and catalysis

JI van der Vlugt, R Sablong, PCMM Magusin, AM Mills, AL Spek, D Vogt

Organometallics

(2004)

3177

(doi: 10.1021/om0498899)

Multi-step application of immobilized reagents and scavengers: a total synthesis of epothilone C.

RI Storer, T Takemoto, PS Jackson, DS Brown, IR Baxendale, SV Ley

Chemistry A European Journal

(2004)

2529

(doi: 10.1002/chem.200305669)

(1R,4S,5R)-3-fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases

M Frederickson, AW Roszak, JR Coggins, AJ Lapthorn, C Abell

Org Biomol Chem

(2004)

1592

(doi: 10.1039/b404535a)