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Currently displaying 20661 - 20680 of 30124 publications

Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states

MA Silva, JM Goodman

Tetrahedron Letters

(2005)

2067

(doi: 10.1016/j.tetlet.2005.01.142)

Stereoselective syntheses of pharmaceutically relevant chiral tetrahydrofurans from (S)- and (R)-glyceraldehyde derivatives

GVM Sharma, S Punna, TR Prasad, PR Krishna, MS Chorghade, SV Ley

Tetrahedron: Asymmetry

(2005)

1113

(doi: 10.1016/j.tetasy.2005.01.044)

Stereoselective synthesis of chiral tetrahydrofurans with potent 5-LO inhibitory activity

GVM Sharma, S Punna, PR Krishna, MS Chorghade, SV Ley

Tetrahedron Asymmetry

(2005)

1125

(doi: 10.1016/j.tetasy.2005.01.045)

Stereoselective synthesis of (2R,3S,4S,5R)-trans-3,4-dihydroxy-5-(4-fluorophenoxymethyl)-2-(1-N-hydroxyureidyl-3-butyn-4-yl)tetrahydrofuran and (2R,3S,4S,5R)-trans-5-ethynyl-2(4-fluorophenoxymethyl)-3,4-O-isopropylidene tetrahydrofuran from mannose diacetonide

GVM Sharma, S Punna, L Hymavathi, NY Reddy, PR Krishna, MS Chorghade, SV Ley

Tetrahedron Asymmetry

(2005)

1135

(doi: 10.1016/j.tetasy.2005.01.046)

Molecule impossible

J Goodman

Chemistry and Industry London

(2005)

A variational method for the calculation of spin-rovibronic energy levels of any triatomic molecule in an electronic triplet state

S Carter, NC Handy, RT *

Molecular Physics

(2005)

103

1131

(doi: 10.1080/00268970412331332961)

Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials

Q Wu, AJ Cohen, WY *

Molecular Physics

(2005)

103

711

(doi: 10.1080/0026897051234267)

A molecular T-matrix approach to calculating Low-Energy Electron Diffraction intensities for ordered molecular adsorbates

M Blanco-Rey, PL de Andres, G Held, DA King

Surface Science

(2005)

579

(doi: 10.1016/j.susc.2005.01.050)

Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods? †

H Oberhofer, C Dellago, PL Geissler

J Phys Chem B

(2005)

109

6902

(doi: 10.1021/jp044556a)

Heterogeneous alkene epoxidation: Past, present and future

RM Lambert, FJ Williams, RL Cropley, A Palermo

Journal of Molecular Catalysis A Chemical

(2005)

228

(doi: 10.1016/j.molcata.2004.09.077)

What contributions to protein side-chain dynamics are probed by NMR experiments? A molecular dynamics simulation analysis.

RB Best, J Clarke, M Karplus

J Mol Biol

(2005)

349

185

(doi: 10.1016/j.jmb.2005.03.001)

What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?

KMN de Silva, JM Goodman

ChemInform

(2005)

(doi: 10.1002/chin.200515228)

Solid-phase methods for the synthesis of cyanine dyes

SJ Mason, JL Hake, J Nairne, WJ Cummins, S Balasubramanian

J Org Chem

(2005)

2939

(doi: 10.1021/jo0479415)

Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.

DJ Fox, TJ Morley, S Taylor, S Warren

Organic & biomolecular chemistry

(2005)

1369

(doi: 10.1039/b503068b)

Looking at structure, stability, and evolution of proteins through the principal eigenvector of contact matrices and hydrophobicity profiles.

U Bastolla, M Porto, HE Roman, M Vendruscolo

Gene

(2005)

347

219

(doi: 10.1016/j.gene.2004.12.015)