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- Currently displaying 25461 - 25480 of 31591 publications
Ab initio molecular dynamics simulation of liquids and solutions
Journal of Physics Condensed Matter
(2000)
12
A161
(doi: 10.1088/0953-8984/12/8A/318)
Reaction of [Cp-2(CO)(3)Mo-2(mu-eta(2)-P-2)(PPh2)](-) with the cumulenes 3-ClC6H4NCO, PhNCS, and CS2 and with Michael acceptors: Synthesis and reactivity of [Cp-2(CO)(3)Mo-2(mu-eta(3)-Ph2PC(H)SP2S)], a complex containing an unusual CSP2S five-membered ring
Organometallics
(2000)
19
984
(doi: 10.1021/om990729k)
Can a pairwise contact potential stabilize native protein folds against decoys obtained by threading?
Proteins
(2000)
38
134
Transition-state structure as a unifying basis in protein-folding mechanisms: contact order, chain topology, stability, and the extended nucleus mechanism.
Proceedings of the National Academy of Sciences of the United States of America
(2000)
97
1525
(doi: 10.1073/pnas.97.4.1525)
Directed evolution of new catalytic activity using the α/β-barrel scaffold (Retracted article. See vol 417, pg 468, 2002)
Nature
(2000)
403
617
(doi: 10.1038/35001001)
Perspective on “Statistical mechanical theory of irreversible processes. I. General theory and simple applications to magnetic and conduction problems.”
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
(2000)
103
234
(doi: 10.1007/s002149900019)
X-ray Diffraction and 13C Solid-State NMR Studies of the Dimethylformamide Solvate of Tetra(C-undecyl)calix[4]resorcinarene
Journal of Physical Chemistry B
(2000)
104
1921
(doi: 10.1021/jp991589v)
Perspective on "The effect of shape on the interaction of colloidal particles"
Theoretical Chemistry Accounts
(2000)
103
212
(doi: 10.1007/s002149900018)
Phenomenological damping in optical response tensors
Physical Review A Atomic Molecular and Optical Physics
(2000)
61
4
(doi: 10.1103/physreva.61.035801)
Mechanistic studies on type I and type II dehydroquinase with (6R)- and (6S)-6-fluoro-3-dehydroquinic acids.
Bioorganic & Medicinal Chemistry Letters
(2000)
10
231
Selective oxygen capture to give a unique mixed-anion lithium aluminate: the synthesis and solid-state structure of {[PhC(O)N(Me)Al(Me)(Bu-t)OMe]Li center dot[PhC(O)N(Me)Al(Me)(OBut)OMe]Li}(2)
Chemical Communications
(2000)
193
(doi: 10.1039/a909135a)
Adsorbate/substrate bonding in Co{10 0}/K-c(2×2) elucidated through first-principles theory
Chemical Physics Letters
(2000)
317
372
Near-infrared laser absorption spectroscopy of the CS+ cation
Chemical Physics Letters
(2000)
317
181
Pentaprismane and hypostrophene from first-principles, with plane waves
Chemical Physics Letters
(2000)
317
381
Polymer Supported Reagents in Synthesis: Preparation of Bicyclo[2.2.2]octane Derivatives via Tandem Michael Addition Reactions and Subsequent Combinatorial Decoration
J Comb Chem
(2000)
2
104
(doi: 10.1021/cc9900697)
NO Chemisorption and Reactions on Metal Surfaces: A New Perspective
Journal of Physical Chemistry B
(2000)
104
2578
(doi: 10.1021/jp9930907)
Mechanism of rescue of common p53 cancer mutations by second‐site suppressor mutations
The EMBO journal
(2000)
19
370
(doi: 10.1093/emboj/19.3.370)
Structure and stability of the platinum/aluminium interface: alloying and substrate vacancy formation on Pt{111}/Al
Surface Science
(2000)
446
145
HRTEM surface profile imaging of superconducting YBa2Cu4O8
Journal of Solid State Chemistry
(2000)
149
327
(doi: 10.1006/jssc.1999.8535)
Crystallization and phase separation in nonadditive binary hard-sphere mixtures
Physical Review E
(2000)
61
R1028
(doi: 10.1103/physreve.61.r1028)
