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- Currently displaying 24241 - 24260 of 29634 publications
Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
Journal of Chemical Physics
(1998)
109
10180
(doi: 10.1063/1.477711)
First principles calculation of the energy and structure of two solid surface phases on Ir{100}
Surface Science
(1998)
418
529
Metalloporphyrin Oligomers with Collapsible Cavities: Characterisation and Recognition Properties of Individual Atropisomers
Chemistry A European Journal
(1998)
4
335
Synthesis, Structure and Photophysics of Neutral π-Associated [2]Catenanes
Chemistry A European Journal
(1998)
4
608
Supramolecular catalysis in transition
Chemistry - A European Journal
(1998)
4
1378
Cooperative Interactions in a Ternary Mixture
Chemistry-a European Journal
(1998)
4
845
Infrared laser spectrum of high J pure rotational transitions of 4HeD+
Chemical Physics Letters
(1998)
298
222
A novel method for the formation of 2-azocanones by lactone-to-lactam ring contraction of 2-oxonanones
Tetrahedron Letters
(1998)
39
9309
Semirational design of active tumor suppressor p53 DNA binding domain with enhanced stability
Proc Natl Acad Sci U S A
(1998)
95
14675
(doi: 10.1073/pnas.95.25.14675)
Numerical study of gas–liquid nucleation in partially miscible binary mixtures
The Journal of Chemical Physics
(1998)
109
9919
(doi: 10.1063/1.477682)
Computer simulation study of gas–liquid nucleation in a Lennard-Jones system
Journal of Chemical Physics
(1998)
109
9901
(doi: 10.1063/1.477658)
Does solvation cause symmetry breaking in the I-3(-) ion in aqueous solution?
Journal of Chemical Physics
(1998)
109
9928
(doi: 10.1063/1.477659)
Surface kinetics of a nonlinear oxygen-induced (1x5)->(1x1) phase transition on Ir{100}
The Journal of Chemical Physics
(1998)
109
9967
(doi: 10.1063/1.477663)
Crystallization of a polymer on a surface
The Journal of Chemical Physics
(1998)
109
10033
(doi: 10.1063/1.477672)
Assembly of dendritic glycoclusters from monomeric mannose building blocks
Journal of the Chemical Society Perkin Transactions 1
(1998)
3913
(doi: 10.1039/a807621i)
Total synthesis of the protein phosphatase inhibitor okadaic acid
Journal of the Chemical Society Perkin Transactions 1
(1998)
3907
(doi: 10.1039/a807957i)
The First Solid‐State Structure of a Lithiated Diazomethane with C–Li and N–Li Bonds: {[Me3SiC(Li)N2]2·3 THF}∞
European Journal of Organic Chemistry
(1998)
1998
861
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
European Journal of Organic Chemistry
(1998)
1998
2425
Reaction of ortho-methylbenzonitrile with lithium N,N,N′-trimethylethylenediamide: Assembly and crystal structure of a primary isoquinolinoamidolithium-secondary amine complex
European Journal of Inorganic Chemistry
(1998)
1998
879
VESPA: A new, fast approach to electrostatic potential‐derived atomic charges from semiempirical methods
Journal of Computational Chemistry
(1998)
18
744