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- Currently displaying 21381 - 21400 of 30849 publications
Cation ordering in layered O3 Li[NixLi1/3-2x/3]Mn2/3-x/3]O2 (0≤x≤1/2) compounds
Chemistry of Materials
(2005)
17
2386
(doi: 10.1021/cm047779m)
Dielectric permittivity profiles of confined polar fluids.
The Journal of Chemical Physics
(2005)
122
114711
(doi: 10.1063/1.1845431)
Proteins of the S100 family regulate the oligomerization of p53 tumor suppressor.
Proc Natl Acad Sci U S A
(2005)
102
4735
(doi: 10.1073/pnas.0501459102)
Stereoselective syntheses of pharmaceutically relevant chiral tetrahydrofurans from (S)- and (R)-glyceraldehyde derivatives
Tetrahedron Asymmetry
(2005)
16
1113
(doi: 10.1016/j.tetasy.2005.01.044)
Stereoselective synthesis of chiral tetrahydrofurans with potent 5-LO inhibitory activity
Tetrahedron Asymmetry
(2005)
16
1125
(doi: 10.1016/j.tetasy.2005.01.045)
Molecule impossible
Chemistry and Industry London
(2005)
18
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
Tetrahedron Asymmetry
(2005)
16
1135
(doi: 10.1016/j.tetasy.2005.01.046)
Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states
Tetrahedron Letters
(2005)
46
{2067-2069}
(doi: 10.1016/j.tetlet.2005.01.142)
A molecular T-matrix approach to calculating Low-Energy Electron Diffraction intensities for ordered molecular adsorbates
Surface Science
(2005)
579
89
(doi: 10.1016/j.susc.2005.01.050)
A variational method for the calculation of spin-rovibronic energy levels of any triatomic molecule in an electronic triplet state
Molecular Physics
(2005)
103
1131
(doi: 10.1080/00268970412331332961)
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Molecular Physics
(2005)
103
711
(doi: 10.1080/0026897051234267)
Biased sampling of nonequilibrium trajectories: can fast switching simulations outperform conventional free energy calculation methods?
J Phys Chem B
(2005)
109
6902
(doi: 10.1021/jp044556a)
Heterogeneous alkene epoxidation: past, present and future
Journal of Molecular Catalysis A Chemical
(2005)
228
27
What contributions to protein side-chain dynamics are probed by NMR experiments? A molecular dynamics simulation analysis.
J Mol Biol
(2005)
349
185
(doi: 10.1016/j.jmb.2005.03.001)
Solid-phase methods for the synthesis of cyanine dyes.
The Journal of organic chemistry
(2005)
70
2939
(doi: 10.1021/jo0479415)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
ChemInform
(2005)
36
no
(doi: 10.1002/chin.200515228)
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions
Organic & Biomolecular Chemistry
(2005)
3
1369
(doi: 10.1039/b503068b)
Looking at structure, stability, and evolution of proteins through the principal eigenvector of contact matrices and hydrophobicity profiles.
Gene
(2005)
347
219
(doi: 10.1016/j.gene.2004.12.015)
John Pople - The early years.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U756
Influence of temperature and DFT models in ab initio MD simulation of liquid water
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U802
