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  • Currently displaying 24241 - 24260 of 29634 publications
Author(s)
Publication title
Journal Name
Publication year
Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
DJ Tozer, NC Handy
Journal of Chemical Physics
(1998)
109
First principles calculation of the energy and structure of two solid surface phases on Ir{100}
Q Ge, DA King, N Marzari, MC Payne
Surface Science
(1998)
418
Metalloporphyrin Oligomers with Collapsible Cavities: Characterisation and Recognition Properties of Individual Atropisomers
N Bampos, V Marvaud, JKM Sanders
Chemistry A European Journal
(1998)
4
Synthesis, Structure and Photophysics of Neutral π-Associated [2]Catenanes
DG Hamilton, JE Davies, L Prodi, JKM Sanders
Chemistry A European Journal
(1998)
4
Supramolecular catalysis in transition
JKM Sanders
Chemistry - A European Journal
(1998)
4
Cooperative Interactions in a Ternary Mixture
AP Bisson, CA Hunter, JC Morales, K Young
Chemistry-a European Journal
(1998)
4
Infrared laser spectrum of high J pure rotational transitions of 4HeD+
WY Fan, NT Hunt, Z Liu, PB Davies
Chemical Physics Letters
(1998)
298
A novel method for the formation of 2-azocanones by lactone-to-lactam ring contraction of 2-oxonanones
S Derrer, N Feeder, SJ Teat, JE Davies, AB Holmes
Tetrahedron Letters
(1998)
39
Semirational design of active tumor suppressor p53 DNA binding domain with enhanced stability
PV Nikolova, J Henckel, DP Lane, AR Fersht
Proc Natl Acad Sci U S A
(1998)
95
Numerical study of gas–liquid nucleation in partially miscible binary mixtures
PR ten Wolde, D Frenkel
The Journal of Chemical Physics
(1998)
109
Computer simulation study of gas–liquid nucleation in a Lennard-Jones system
PR ten Wolde, D Frenkel
Journal of Chemical Physics
(1998)
109
Does solvation cause symmetry breaking in the I-3(-) ion in aqueous solution?
RM Lynden-Bell, R Kosloff, S Ruhman, D Danovich, J Vala
Journal of Chemical Physics
(1998)
109
Surface kinetics of a nonlinear oxygen-induced (1x5)->(1x1) phase transition on Ir{100}
T Ali, B Klötzer, AV Walker, Q Ge, DA King
The Journal of Chemical Physics
(1998)
109
Crystallization of a polymer on a surface
JPK Doye, D Frenkel
The Journal of Chemical Physics
(1998)
109
Assembly of dendritic glycoclusters from monomeric mannose building blocks
P Langer, SJ Ince, SV Ley
Journal of the Chemical Society Perkin Transactions 1
(1998)
Total synthesis of the protein phosphatase inhibitor okadaic acid
SV Ley, AC Humphries, H Eick, R Downham, AR Ross, RJ Boyce, JBJ Pavey, J Pietruszka
Journal of the Chemical Society Perkin Transactions 1
(1998)
The First Solid‐State Structure of a Lithiated Diazomethane with C–Li and N–Li Bonds: {[Me3SiC(Li)N2]2·3 THF}∞
N Feeder, MA Hendy, PR Raithby, R Snaith, AEH Wheatley
European Journal of Organic Chemistry
(1998)
1998
Stereoelectronic Inhibition of Deprotonation in the Radical Cation of N‐Benzylpiperidine: a Contribution to the Debate on the Mechanism of N‐Dealkylation of Tertiary Amines
M Bietti, A Cuppoletti, C Dagostin, C Florea, C Galli, P Gentili, H Petride, C Russo
European Journal of Organic Chemistry
(1998)
1998
Reaction of ortho-methylbenzonitrile with lithium N,N,N′-trimethylethylenediamide: Assembly and crystal structure of a primary isoquinolinoamidolithium-secondary amine complex
N Feeder, R Snaith, AEH Wheatley
European Journal of Inorganic Chemistry
(1998)
1998
VESPA: A new, fast approach to electrostatic potential‐derived atomic charges from semiempirical methods
B Beck, T Clark, RC Glen
Journal of Computational Chemistry
(1998)
18