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- Currently displaying 23581 - 23600 of 29248 publications
Density functional calculations of the hyperpolarisabilities of small molecules
Chemical Physics Letters
(1999)
303
391
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
Journal of Chemical Physics
(1999)
110
6896
(doi: 10.1063/1.478595)
The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
The Journal of Chemical Physics
(1999)
110
7073
(doi: 10.1063/1.478613)
Modeling small hydronium-water clusters
The Journal of Chemical Physics
(1999)
110
6766
(doi: 10.1063/1.478580)
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)
Pressure-induced structural changes of HBr
Physica B: Condensed Matter
(1999)
265
101
C-13 CP/MAS NMR study of anti-HIV-1 agent AZT
Chemical Physics Letters
(1999)
303
183
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)
Acceleration of the folding of acylphosphatase by stabilization of local secondary structure
Nature structural biology
(1999)
6
380
(doi: 10.1038/7616)
Kinetic-energy systems, density scaling, and homogeneity relations in density-functional theory
Physical Review A
(1999)
59
2670
(doi: 10.1103/physreva.59.2670)
Anharmonicity and localization of atomic vibrations in vitreous silica
Physical Review B
(1999)
59
8572
(doi: 10.1103/physrevb.59.8572)
Short-time dynamics of colloidal suspensions in confined geometries
Physical Review E
(1999)
59
4458
(doi: 10.1103/physreve.59.4458)
Optimized Lieb-Oxford bound for the exchange-correlation energy
Physical Review A
(1999)
59
3075
(doi: 10.1103/physreva.59.3075)
Mechanical and chemical unfolding of a single protein: A comparison
Proc Natl Acad Sci U S A
(1999)
96
3694
(doi: 10.1073/pnas.96.7.3694)
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 of the United States of America
(1999)
96
3595
(doi: 10.1073/pnas.96.7.3595)
Designing conditions for in vitro formation of amyloid protofilaments and fibrils.
Proceedings of the National Academy of Sciences of the United States of America
(1999)
96
3590
(doi: 10.1073/pnas.96.7.3590)
A kinetic and spectroscopic study of the in situ electrochemical promotion by sodium of the platinum-catalyzed combustion of propene
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)
Actions of azadirachtin, a plant allelochemical, against insects
Pest Management Science
(1999)
54
277