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- Currently displaying 28061 - 28080 of 30196 publications
MODERN ELECTRONIC-STRUCTURE CALCULATIONS - THE ACCURATE PREDICTION OF SPECTROSCOPIC BAND ORIGINS
SUPERCOMPUTER ALGORITHMS FOR REACTIVITY, DYNAMICS AND KINETICS OF SMALL MOLECULES
(1989)
277
23
GRADIENT THEORY - ITS APPLICATION TO THE EXTENDED HARTREE-FOCK METHOD
QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS
(1989)
62
145
Theory of inhomogeneous fluids and freezing
NATO ASI Science Series B, Physics
(1989)
186
Steady-state structure and dynamics of a two-dimensional conducting fluid
Molecular Physics
(1989)
67
209
(doi: 10.1080/00268978900101031)
Freezing, melting, spinodals, and clusters.
Phys Rev Lett
(1989)
63
1156
(doi: 10.1103/physrevlett.63.1156)
skeletal rearrangements in clusters III. applications of vibrational analysis
Polyhedron
(1989)
15
1933
Reversible photoinduced change of ac conduction in amorphous As2S3 films
Physical Review B
(1988)
38
12479
(doi: 10.1103/physrevb.38.12479)
The vibrational circular dichroism of dimethylcyclopropane in the C–H stretching region
The Journal of Chemical Physics
(1988)
89
7287
(doi: 10.1063/1.455309)
Overtone spectra of C-H oscillators in cold molecules
The Journal of Chemical Physics
(1988)
89
7100
(doi: 10.1063/1.455289)
A polarizable model for water using distributed charge sites
Journal of Chemical Physics
(1988)
89
7556
(doi: 10.1063/1.455722)
Solvation of electrons, atoms and ions in liquid ammonia
Faraday Discussions
(1988)
85
373
(doi: 10.1039/DC9888500373)
Stereoelectronic effects on anilide conformation
Chemical Communications
(1988)
1537
(doi: 10.1039/C39880001537)
Synthesis, characterisation, and catalytic activity of a phosphinidene stabilised tethered triruthenium cluster
Dalton Transactions
(1988)
2649
(doi: 10.1039/DT9880002649)
Concentration-modulated absorption spectroscopy. Lifetime measurements of the 2 E state of Cr 3+ in a ruby crystal
Journal of the Chemical Society, Faraday Transactions 2
(1988)
84
1867
(doi: 10.1039/F29888401867)
The direct electrochemistry of protein—protein complexes
Biochemical Society Transactions
(1988)
16
957
(doi: 10.1042/bst0160957)
The direct electrochemistry of cytochrome b5 at peptide-modified gold electrodes
Biochemical Society Transactions
(1988)
16
958
(doi: 10.1042/bst0160958)
The direct electrochemistry of flavodoxin from Azotobacter chroococcum at a graphite electrode promoted by aminoglycosides
Biochemical Society Transactions
(1988)
16
959
(doi: 10.1042/bst0160959)