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  • Currently displaying 23581 - 23600 of 29248 publications
Author(s)
Publication title
Journal Name
Publication year
Density functional calculations of the hyperpolarisabilities of small molecules
AJ Cohen, NC Handy, DJ Tozer
Chemical Physics Letters
(1999)
303
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
JPK Doye, MA Miller, DJ Wales
Journal of Chemical Physics
(1999)
110
The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
JPK Doye, D Frenkel
The Journal of Chemical Physics
(1999)
110
Modeling small hydronium-water clusters
MP Hodges, AJ Stone
The Journal of Chemical Physics
(1999)
110
A leaving group strategy for the selective functionalisation of an imido Sn( II ) cubane
B Galán, MEG Mosquera, JS Palmer, PR Raithby, DS Wright
Journal of the Chemical Society, Dalton Transactions
(1999)
Pressure-induced structural changes of HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
Physica B: Condensed Matter
(1999)
265
C-13 CP/MAS NMR study of anti-HIV-1 agent AZT
W Kolodziejski, J Klinowski
Chemical Physics Letters
(1999)
303
Nematic–isotropic transition in polydisperse systems of infinitely thin hard platelets
MA Bates, D Frenkel
The Journal of Chemical Physics
(1999)
110
Products of the ultraviolet photodissociation of trifluoroacetic acid and acrylic acid
MC Osborne, Q Li, IWM Smith
Physical Chemistry Chemical Physics
(1999)
1
Acceleration of the folding of acylphosphatase by stabilization of local secondary structure
F Chiti, N Taddei, P Webster, D Hamada, T Fiaschi, G Ramponi, CM Dobson
Nature structural biology
(1999)
6
Kinetic-energy systems, density scaling, and homogeneity relations in density-functional theory
GK-L Chan, NC Handy
Physical Review A
(1999)
59
Anharmonicity and localization of atomic vibrations in vitreous silica
SN Taraskin, SR Elliott
Physical Review B
(1999)
59
Short-time dynamics of colloidal suspensions in confined geometries
I Pagonabarraga, MHJ Hagen, CP Lowe, D Frenkel
Physical Review E
(1999)
59
Optimized Lieb-Oxford bound for the exchange-correlation energy
GK-L Chan, NC Handy
Physical Review A
(1999)
59
Mechanical and chemical unfolding of a single protein: A comparison
M Carrion-Vazquez, AF Oberhauser, SB Fowler, PE Marszalek, SE Broedel, J Clarke, JM Fernandez
Proc Natl Acad Sci U S A
(1999)
96
Mutually compensatory mutations during evolution of the tetramerization domain of tumor suppressor p53 lead to impaired hetero-oligomerization.
MG Mateu, AR Fersht
Proceedings of the National Academy of Sciences of the United States of America
(1999)
96
Designing conditions for in vitro formation of amyloid protofilaments and fibrils.
F Chiti, P Webster, N Taddei, A Clark, M Stefani, G Ramponi, CM Dobson
Proceedings of the National Academy of Sciences of the United States of America
(1999)
96
A kinetic and spectroscopic study of the in situ electrochemical promotion by sodium of the platinum-catalyzed combustion of propene
NC Filkin, MS Tikhov, A Palermo, RM Lambert
Journal of Physical Chemistry A
(1999)
103
Selective Inhibition of Type II Dehydroquinases
M Frederickson, EJ Parker, AR Hawkins, JR Coggins, C Abell
The Journal of organic chemistry
(1999)
64
Actions of azadirachtin, a plant allelochemical, against insects
AJ Mordue, MSJ Simmonds, SV Ley, WM Blaney, W Mordue, M Nasiruddin, AJ Nisbet
Pest Management Science
(1999)
54