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- Currently displaying 20981 - 21000 of 30425 publications
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
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.
Journal of medicinal chemistry
(2005)
48
2831
(doi: 10.1021/jm0490742)
Secondary organic aerosol formation by irradiation of 1,3,5-trimethylbenzene-NOx-H2O in a new reaction chamber for atmospheric chemistry and physics.
Environmental Science and Technology
(2005)
39
2668
(doi: 10.1021/es0489137)
Glassy behavior in an exactly solved spin system with a ferromagnetic transition.
Physical Review E
(2005)
71
036112
(doi: 10.1103/PhysRevE.71.036112)
Amplification of acetylcholine-binding catenanes from dynamic combinatorial libraries.
Science (New York, N.Y.)
(2005)
308
667
(doi: 10.1126/science.1109999)
Synthesis, characterisation and magnetic properties of cobalt (II) complexes with 3-hydroxypicolinic acid (HpicOH): [Co(picOH)2(H 2O)2] and mer-[N(CH3)4][Co(picOH) 3]·H2O
Polyhedron
(2005)
24
563
(doi: 10.1016/j.poly.2005.01.002)
Copper is highly effective for the epoxidation of a "difficult" alkene, whereas silver is not
Surface Science
(2005)
578
L85
(doi: 10.1016/j.susc.2005.01.024)
DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane).
Chemistry (Weinheim an der Bergstrasse, Germany)
(2005)
11
2196
(doi: 10.1002/chem.200400772)
Reactions of Sn(NMe2)2 with primary aryl phosphides, ArPH-: Synthesis and structures of the heteroleptic cages {(PhP-PPh)Sn(μ-PPh)}2(Na-PMDETA)4 and [{Sn(μ3-Ppy)}2{Sn(μ3,μ1- pyP-Ppy)}3]
Organometallics
(2005)
24
1813
(doi: 10.1021/om049177i)
Efficient batch and continuous flow Suzuki cross-coupling reactions under mild conditions, catalysed by polyurea-encapsulated palladium (II) acetate and tetra-n-butylammonium salts
Chemical communications (Cambridge, England)
(2005)
2175
(doi: 10.1039/b418669a)
Progressive Changes in the Structure of Hardened C3S Cement Pastes due to Carbonation
Journal of the American Ceramic Society
(2005)
74
2891
HYDRATION OF TRICALCIUM SILICATE FOLLOWED BY SI-29 NMR WITH CROSS-POLARIZATION
Journal of the American Ceramic Society
(2005)
71
91
Application of Selective 29Si Isotopic Enrichment to Studies of the Structure of Calcium Silicate Hydrate (C‐S‐H) Gels
Journal of the American Ceramic Society
(2005)
77
593
Hartree–Fock orbitals which obey the nuclear cusp condition
Chemical Physics Letters
(2005)
404
156
(doi: 10.1016/j.cplett.2005.01.071)
Stereoselective synthesis of (2S,7S)-7-(4-phenoxymethyl)2-(1-N-hydroxyureidyl-3-butyn-4-yl)oxepane: a potential anti-asthmatic drug candidate
Tetrahedron Asymmetry
(2005)
16
935
(doi: 10.1016/j.tetasy.2005.01.024)
Crystal engineering of organic cocrystals by the solid-state grinding approach
Topics in Current Chemistry
(2005)
254
41
(doi: 10.1007/b100995)
Direct conversion of N-methoxy-N-methylamides (Weinreb amides) to ketones via a nonclassical Wittig reaction.
Organic Letters
(2005)
7
1427
(doi: 10.1021/ol050337b)
A Homo-Proline Tetrazole as an Improved Organocatalyst for the Asymmetric Michael Addition of Carbonyl Compounds to Nitro-Olefins
Synlett
(2005)
611
(doi: 10.1055/s-2005-862392)
