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- Currently displaying 20281 - 20300 of 29680 publications
Monte Carlo study of hard pentagons
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)
Phys. Rev. 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[Ni xLi 1/3-2x/3Mn 2/3-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 stereo-selective S-S bond addition to terminal alkynes
Synlett
(2005)
2005
1015
(doi: 10.1055/s-2005-865195)
Dielectric permittivity profiles of confined polar fluids.
J Chem Phys
(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)
Molecule impossible
Chemistry and Industry London
(2005)
{18-19}
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 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)
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)
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? †
Journal of Physical Chemistry B
(2005)
109
6902
(doi: 10.1021/jp044556a)
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)
Heterogeneous alkene epoxidation: past, present and future
Journal of Molecular Catalysis A: Chemical
(2005)
228
27
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
ChemInform
(2005)
36
no
(doi: 10.1002/chin.200515228)
