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- Currently displaying 19821 - 19840 of 31086 publications
Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'
Faraday Discuss
(2007)
136
287
(doi: 10.1039/b616689j)
NMR, PDF and RMC study of the positive electrode material Li(Ni0.5Mn0.5)O2 synthesized by ion-exchange methods
Journal of Materials Chemistry
(2007)
17
{3167-3174}
(doi: 10.1039/b702745a)
The glass transition temperatures of amorphous trehalose-water mixtures and the mobility of water: an experimental and in silico study
Carbohydrate Research
(2007)
342
1470
(doi: 10.1016/j.carres.2007.04.01)
Total synthesis of (-)-reidispongiolide A, an actin-targeting marine macrolide.
Angewandte Chemie International Edition
(2007)
46
6167
(doi: 10.1002/anie.200702178)
CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration.
Journal of Chemical Information and Modeling
(2007)
47
1923
(doi: 10.1021/ci700136x)
Chiral Glycolate Equivalents for the Asymmetric Synthesis of α-Hydroxycarbonyl Compounds
Bulletin of the Chemical Society of Japan
(2007)
80
1451
(doi: 10.1246/bcsj.80.1451)
Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system
Journal of Chemical Physics
(2007)
127
064304
(doi: 10.1063/1.2749251)
Organic Synthesis in Water: 1,3‐Dipolar Cycloaddition Reactions at Ambient Temperature with Aqueous Suspensions of Solid Reactants.
ChemInform
(2007)
38
no
(doi: 10.1002/chin.200735153)
Furanyl spiroketals as stereochemical relays in the synthesis of 1,9-anti diols:: synthesis of insect pheromones
Tetrahedron Letters
(2007)
48
5683
(doi: 10.1016/j.tetlet.2007.06.004)
Host-guest binding constants can be estimated directly from the product distributions of dynamic combinatorial libraries
Angew Chem Int Ed Engl
(2007)
46
5762
(doi: 10.1002/anie.200700292)
Preparation of cyclobis(paraquat-p-phenylene)-based [2]rotaxanes without flexible glycol chains
Angewandte Chemie International Edition
(2007)
46
6093
(doi: 10.1002/anie.200701722)
Density functional theory study of flat and stepped NaCl(001)
Physical Review B
(2007)
76
075401
(doi: 10.1103/PhysRevB.76.075401)
Preparation of Cyclobis(paraquat‐p‐phenylene)‐Based [2]Rotaxanes Without Flexible Glycol Chains
Angewandte Chemie
(2007)
119
6205
(doi: 10.1002/ange.200701722)
Controlling viscoelastic flow by tuning frequency during occlusions
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2007)
76
(doi: 10.1103/PhysRevE.76.026301)
Local structure of liquid carbon controls diamond nucleation.
Phys Rev Lett
(2007)
99
055702
Structures and solution dynamics of pseudorotaxanes mediated by alkali-metal cations
Dalton Trans
(2007)
3874
(doi: 10.1039/b706043b)
Database guided conformation selection in crystal structure prediction of alanine
CrystEngComm
(2007)
9
595
(doi: 10.1039/b702136d)
Does Marcus theory apply to redox processes in ionic liquids? A simulation study
Electrochemistry Communications
(2007)
9
1857
(doi: 10.1016/j.elecom.2007.04.010)
