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- Currently displaying 21161 - 21180 of 30651 publications
Monte Carlo study of hard pentagons - art. no. 036138
Physical review. E, Statistical, nonlinear, and soft matter physics
(2005)
71
036138
(doi: 10.1103/PhysRevE.71.036138)
Pathways for dissociative methane chemisorption on Pt{110}-(1×2)
Physical Review B
(2005)
71
113410
(doi: 10.1103/PhysRevB.71.113410)
Excitations with negative dispersion in a spin vortex -: art. no. 104415
Physical Review B
(2005)
71
104415
(doi: 10.1103/PhysRevB.71.104415)
Cation ordering in layered O3 Li[NixLi1/3-2x/3]Mn2/3-x/3]O-2 (0 <= x <= 1/2) compounds
Chemistry of Materials
(2005)
17
2386
(doi: 10.1021/cm047779m)
The First Example of Polymer-Supported Palladium Catalyst for Stereoselective S-S Bond Addition to Terminal Alkynes
Synlett
(2005)
2005
1015
(doi: 10.1055/s-2005-865195)
Dielectric permittivity profiles of confined polar fluids
The Journal of chemical physics
(2005)
122
114711
(doi: 10.1063/1.1845431)
Stereoselective synthesis of chiral tetrahydrofurans with potent 5-LO inhibitory activity
Tetrahedron Asymmetry
(2005)
16
1125
(doi: 10.1016/j.tetasy.2005.01.045)
Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states
Tetrahedron Letters
(2005)
46
2067
(doi: 10.1016/j.tetlet.2005.01.142)
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 (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)
Molecule impossible
Chemistry and Industry London
(2005)
18
Proteins of the S100 family regulate the oligomerization of p53 tumor suppressor.
Proceedings of the National Academy of Sciences
(2005)
102
4735
(doi: 10.1073/pnas.0501459102)
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Molecular Physics
(2005)
103
711
(doi: 10.1080/0026897051234267)
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)
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)
Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?
The journal of physical chemistry. 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
Journal of molecular biology
(2005)
349
185
(doi: 10.1016/j.jmb.2005.03.001)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
ChemInform
(2005)
36
no
(doi: 10.1002/chin.200515228)
