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  • Currently displaying 21641 - 21660 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
Cation ordering in layered O3 Li[NixLi1/3-2x/3]Mn2/3-x/3]O2 (0≤x≤1/2) compounds
YS Meng, G Ceder, CP Grey, W-S Yoon, M Jiang, J Bréger, Y Shao-Horn
Chemistry of Materials
(2005)
17
A synthesis of (+/-)-sparteine
T Buttler, I Fleming, S Gonsior, B-H Kim, A-Y Sung, H-G Woo
Organic & biomolecular chemistry
(2005)
3
Dielectric permittivity profiles of confined polar fluids.
V Ballenegger, J-P Hansen
The Journal of Chemical Physics
(2005)
122
Molecule impossible
J Goodman
Chemistry and Industry London
(2005)
Proteins of the S100 family regulate the oligomerization of p53 tumor suppressor
MR Fernandez-Fernandez, DB Veprintsev, AR Fersht
Proc Natl Acad Sci U S A
(2005)
102
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)
16
Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states
MA Silva, JM Goodman
Tetrahedron Letters
(2005)
46
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)
16
Stereoselective synthesis of chiral tetrahydrofurans with potent 5-LO inhibitory activity
GVM Sharma, S Punna, PR Krishna, MS Chorghade, SV Ley
Tetrahedron: Asymmetry
(2005)
16
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
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
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Q Wu, AJ Cohen, WY *
Molecular Physics
(2005)
103
Biased Sampling of Nonequilibrium Trajectories:  Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?
H Oberhofer, C Dellago, PL Geissler
Journal of Physical Chemistry B
(2005)
109
Heterogeneous alkene epoxidation: past, present and future
RM Lambert, FJ Williams, RL Cropley, A Palermo
Journal of Molecular Catalysis A: Chemical
(2005)
228
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
Solid-phase methods for the synthesis of cyanine dyes
SJ Mason, JL Hake, J Nairne, WJ Cummins, S Balasubramanian
The Journal of organic chemistry
(2005)
70
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
KMN de Silva, JM Goodman
ChemInform
(2005)
36
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
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)
3
Novel coordination networks of 3D-metals with organothiolate ligands.
SM Humphrey, RA Mole, PT Wood
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229