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  • Currently displaying 23961 - 23980 of 29639 publications
Author(s)
Publication title
Journal Name
Publication year
The case of the missing acetylene. The mechanism of an intramolecular S N (V) reaction and a new route to 1-methylbenzo[ de ]quinolines
DRW Hodgson, AJ Kirby, N Feeder
J CHEM SOC PERK T 1
(1999)
The fluorine atom initiated oxidation of CF3CFH2 (HFC-134a) studied by FTIR spectroscopy - Comment - Response
AS Hasson, CM Moore, IWM Smith
International Journal of Chemical Kinetics
(1999)
31
Multilayer influences on the monolayer structure for NO on Pt{110}-(1x2)
WA Brown, RK Sharma, G Ge, DA King
Physical Chemistry Chemical Physics
(1999)
1
Solvothermal synthesis of the canted antiferromagnet {K2[CoO3PCH2N(CH2CO2)2]}6xH2O
SO Gutschke, DJ Price, AK Powell, PT Wood
Angewandte Chemie International Edition
(1999)
38
Determining surface free energies of crystals with highly disordered surfaces from simulation
P SMITH, RM LYNDEN-BELL
Molecular Physics
(1999)
96
Density functional calculations of the hyperpolarisabilities of small molecules
AJ Cohen, NC Handy, DJ Tozer
Chemical Physics Letters
(1999)
303
The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
JPK Doye, D Frenkel
Journal of Chemical Physics
(1999)
110
Modeling small hydronium–water clusters
MP Hodges, AJ Stone
The Journal of Chemical Physics
(1999)
110
The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
JPK Doye, MA Miller, DJ Wales
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
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 Condensed Matter and Materials Physics
(1999)
59
Optimized Lieb-Oxford bound for the exchange-correlation energy
GK-L Chan, NC Handy
Physical Review A
(1999)
59
Short-time dynamics of colloidal suspensions in confined geometries
I Pagonabarraga, MHJ Hagen, CP Lowe, D Frenkel
Physical Review E
(1999)
59
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
(1999)
96