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- Currently displaying 19541 - 19560 of 30945 publications
Clustering in the absence of attractions: Density functional theory and computer Simulations
The Journal of Physical Chemistry B
(2007)
111
12799
(doi: 10.1021/jp074652m)
Nearside-farside and local angular momentum analyses of time-independent scattering amplitudes for the H + D2 (vi = 0, ji = 0) --> HD (vf = 3, jf = 0) + D reaction.
Journal of Physical Chemistry A
(2007)
111
10302
(doi: 10.1021/jp073334k)
Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.
J Chem Inf Model
(2007)
47
2182
(doi: 10.1021/ci700024q)
Structural and Dynamic Determinants of Ligand Binding in the Ternary Complex of Chicken Liver Bile Acid Binding Protein with Two Bile Salts Revealed by NMR † , ‡
Biochemistry
(2007)
46
12557
(doi: 10.1021/bi7013085)
Synthesis of raspberry-like particles using polyelectrolyte multilayer-coated particles
Journal of Materials Chemistry
(2007)
17
4943
(doi: 10.1039/b712455d)
Synthesis, structure and magnetic behaviour of manganese(II) selenolate complexes ∞1[Mn(SePh)2], [Mn(SePh) 2(bipy)2] and [Mn(SePh)2(phen)2] (bipy = bipyridyl, phen = phenanthroline)
European Journal of Inorganic Chemistry
(2007)
2007
4794
(doi: 10.1002/ejic.200700129)
Trisubstituted isoalloxazines as a new class of G-quadruplex binding ligands: Small molecule regulation of c-kit oncogene expression
J Am Chem Soc
(2007)
129
12926
(doi: 10.1021/ja075881p)
Climate impact of supersonic air traffic: an approach to optimize a potential future supersonic fleet - results from the EU-project SCENIC
Atmospheric Chemistry and Physics
(2007)
7
5129
(doi: 10.5194/acp-7-5129-2007)
Differential cross section for the H+D2 →hD (v′ =1, j′ =2,6,10) +D reaction as a function of collision energy
Journal of Chemical Physics
(2007)
127
(doi: 10.1063/1.2771157)
Plasticity within the obligatory folding nucleus of an immunoglobulin-like domain
J Mol Biol
(2007)
375
547
(doi: 10.1016/j.jmb.2007.09.088)
Stochastic perturbation theory: A low-scaling approach to correlated electronic energies
Physical Review Letters
(2007)
99
143001
Noncovalent Functional‐Group–Arene Interactions
Angewandte Chemie International Edition
(2007)
46
7823
(doi: 10.1002/anie.200701463)
Bimetallic Metal‐Organic Frameworks Containing the ${\rm [M(2,}x-{\rm pdc)^{2-}_{2}}]$ (M = Cu, Pd, Pt; x = 4, 5) Building Block – Synthesis, Structure, and Magnetic Properties
Zeitschrift Fur Anorganische Und Allgemeine Chemie
(2007)
633
2342
(doi: 10.1002/zaac.200700235)
Formation and structure of the [(1,2-C(6)H(4)P(2)Sb)(2)](4-) ion: implications for an extended family of isoelectronic main-group radicals.
Angewandte Chemie International Edition
(2007)
46
7827
(doi: 10.1002/anie.200702603)
Simulations of ionic liquids, solutions, and surfaces.
Accounts of chemical research
(2007)
40
1138
(doi: 10.1021/ar700065s)
Editorial: Vitamins and cofactors - Chemistry, biochemistry and biology
Natural Product Reports
(2007)
24
923
(doi: 10.1039/b712088p)
On the kinetic and thermodynamic reactivity of lithium Di(alkyl)amidozincate bases in directed ortho metalation
J Am Chem Soc
(2007)
129
12734
(doi: 10.1021/ja072118m)
Molecular simulations of droplet coalescence in oil/water/surfactant systems.
The Journal of chemical physics
(2007)
127
134701
(doi: 10.1063/1.2780865)
Comparison of double-ended transition state search methods (12 pages).
J. Chem. Phys.
(2007)
127
134102
(doi: 10.1063/1.2767621)
