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  • Currently displaying 25681 - 25700 of 31108 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
The Journal of Chemical Physics
(1998)
109
Supramolecular catalysis in transition
JKM Sanders
Chemistry A European Journal
(1998)
4
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
Cooperative interactions in a ternary mixture
AP Bisson, CA Hunter, JC Morales, K Young
Chemistry-a European Journal
(1998)
4
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
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
Surface kinetics of a nonlinear oxygen-induced (1×5)→(1×1) phase transition on Ir100
T Ali, B Klötzer, AV Walker, Q Ge, DA King
The Journal of Chemical Physics
(1998)
109
Does solvation cause symmetry breaking in the I3− ion in aqueous solution?
RM Lynden-Bell, R Kosloff, S Ruhman, D Danovich, J Vala
Journal of Chemical Physics
(1998)
109
Numerical study of gas–liquid nucleation in partially miscible binary mixtures
PR ten Wolde, D Frenkel
The Journal of Chemical Physics
(1998)
109
Semirational design of active tumor suppressor p53 DNA binding domain with enhanced stability
PV Nikolova, J Henckel, DP Lane, AR Fersht
Proceedings of the National Academy of Sciences
(1998)
95
Computer simulation study of gas–liquid nucleation in a Lennard-Jones system
PR ten Wolde, D Frenkel
Journal of Chemical Physics
(1998)
109
Crystallization of a polymer on a surface
JPK Doye, D Frenkel
The Journal of Chemical Physics
(1998)
109
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
Camel single‐domain antibody inhibits enzyme by mimicking carbohydrate substrate
TR Transue, E De Genst, MA Ghahroudi, L Wyns, S Muyldermans
Proteins Structure Function and Genetics
(1998)
32
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
J CHEM SOC PERK T 1
(1998)
H ··· H model potential for exchange–repulsion energy of methane dimer
E Fraschini, AJ Stone
Journal of Computational Chemistry
(1998)
19
Assembly of dendritic glycoclusters from monomeric mannose building blocks
P Langer, SJ Ince, SV Ley
J CHEM SOC PERK T 1
(1998)
A physical picture of multiple‐quantum coherence
R Freeman
Concepts in Magnetic Resonance
(1998)
10