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- Currently displaying 23921 - 23940 of 29607 publications
Determining surface free energies of crystals with highly disordered surfaces from simulation
Molecular Physics
(1999)
96
1027
(doi: 10.1080/002689799164856)
Density functional calculations of the hyperpolarisabilities of small molecules
Chemical Physics Letters
(1999)
303
391
Modeling small hydronium-water clusters
The Journal of Chemical Physics
(1999)
110
6766
(doi: 10.1063/1.478580)
The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
Journal of Chemical Physics
(1999)
110
7073
(doi: 10.1063/1.478613)
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
Journal of Chemical Physics
(1999)
110
6896
(doi: 10.1063/1.478595)
A leaving group strategy for the selective functionalisation of an imido Sn(II) cubane
Journal of the Chemical Society, Dalton Transactions
(1999)
1043
(doi: 10.1039/a901478k)
13C CP/MAS NMR study of anti-HIV-1 agent AZT
Chemical Physics Letters
(1999)
303
183
Pressure-induced structural changes of HBr
Physica B Condensed Matter
(1999)
265
101
Acceleration of the folding of acylphosphatase by stabilization of local secondary structure.
Nature Structural & Molecular Biology
(1999)
6
380
(doi: 10.1038/7616)
Nematic-isotropic transition in polydisperse systems of infinitely thin hard platelets
The Journal of Chemical Physics
(1999)
110
6553
(doi: 10.1063/1.478558)
Products of the ultraviolet photodissociation of trifluoroacetic acid and acrylic acid
Physical Chemistry Chemical Physics
(1999)
1
1447
(doi: 10.1039/a809064e)
Anharmonicity and localization of atomic vibrations in vitreous silica
Physical Review B Condensed Matter and Materials Physics
(1999)
59
8572
(doi: 10.1103/PhysRevB.59.8572)
Kinetic-energy systems, density scaling, and homogeneity relations in density-functional theory
Physical Review A
(1999)
59
2670
(doi: 10.1103/PhysRevA.59.2670)
Optimized Lieb-Oxford bound for the exchange-correlation energy
Physical Review A
(1999)
59
3075
(doi: 10.1103/physreva.59.3075)
Short-time dynamics of colloidal suspensions in confined geometries
Physical Review E
(1999)
59
4458
(doi: 10.1103/physreve.59.4458)
Designing conditions for in vitro formation of amyloid protofilaments and fibrils
Proc Natl Acad Sci U S A
(1999)
96
3590
(doi: 10.1073/pnas.96.7.3590)
Mutually compensatory mutations during evolution of the tetramerization domain of tumor suppressor p53 lead to impaired hetero-oligomerization
Proceedings of the National Academy of Sciences
(1999)
96
3595
(doi: 10.1073/pnas.96.7.3595)
Mechanical and chemical unfolding of a single protein: a comparison.
Proceedings of the National Academy of Sciences of the United States of America
(1999)
96
3694
(doi: 10.1073/pnas.96.7.3694)
A Kinetic and Spectroscopic Study of the in Situ Electrochemical Promotion by Sodium of the Platinum-Catalyzed Combustion of Propene
The Journal of Physical Chemistry A
(1999)
103
2680
(doi: 10.1021/jp984186o)
Selective Inhibition of Type II Dehydroquinases.
The Journal of Organic Chemistry
(1999)
64
2612
(doi: 10.1021/jo990004q)