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- Currently displaying 19881 - 19900 of 29274 publications
A comparison of Hartree–Fock and exact diagonalization solutions for a model two-electron system
The Journal of Chemical Physics
(2005)
122
124107
(doi: 10.1063/1.1869978)
Synthesis and lithiation of oxazolinylaziridines: the N-substituent effect
Tetrahedron
(2005)
61
3251
(doi: 10.1016/j.tet.2005.01.045)
4-Methyl-3,5-dinitrobenzoic acid-dimethyl sulfoxide (1/1)
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
o1100
(doi: 10.1107/S1600536805008779)
Monte Carlo study of hard pentagons - art. no. 036138
Physical Review E
(2005)
71
036138
(doi: 10.1103/physreve.71.036138)
Pathways for dissociative methane chemisorption on Pt{110}-(1x2)
Physical Review B Condensed Matter and Materials Physics
(2005)
71
113410
(doi: 10.1103/physrevb.71.113410)
Excitations with negative dispersion in a spin vortex
Physical Review B Condensed Matter and Materials Physics
(2005)
71
104415
(doi: 10.1103/PhysRevB.71.104415)
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
{2386-2394}
(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)
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
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 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)
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)
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)
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)
