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- Currently displaying 26081 - 26100 of 30706 publications
Higher-order gradient corrections for exchange-correlation functionals
Chemical Physics Letters
(1997)
266
16
Adsorption of ethyne on Cu(110): Experimental and theoretical study
Langmuir
(1997)
13
758
(doi: 10.1021/la960865j)
The use of a dithiane protected benzoin photolabile safety catch linker for solid-phase synthesis.
Tetrahedron Letters
(1997)
38
1227
Experimental and molecular orbital calculational study of the stereoselective Horner—Wittig reaction with phosphine oxides: Control of stereoselectivity by lithium
Journal of Organometallic Chemistry
(1997)
529
29
Cyclobutanone as an electrophile for lithiated phosphine oxides: ‘Internal quench’ conditions
Journal of Organometallic Chemistry
(1997)
529
279
Modified configurational bias monte carlo method for simulation of polymer systems
Journal of Chemical Physics
(1997)
106
2970
(doi: 10.1063/1.473356)
On the accuracy of molecular exchange-correlation potentials computed from electron densities
Chemical Physics Letters
(1997)
265
614
Distribution of tetrahedral and octahedral A1 sites in gamma alumina
Chemical Physics Letters
(1997)
265
673
In focus - Reply
SCIENCE
(1997)
275
912
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2and Inversion in PF3
Journal of Physical Chemistry A
(1997)
101
1384
(doi: 10.1021/jp9628343)
An approach to the manzamine alkaloids modelled on a biogenetic theory
Tetrahedron
(1997)
53
2271
A spectroscopic study of the chemistry and reactivity of SO2 on Pt{111}: reactions with O2, CO and C3H6
Surface Science
(1997)
372
279
DNA base-stacking interactions: a comparison of theoretical calculations with oligonucleotide X-ray crystal structures.
Journal of Molecular Biology
(1997)
265
603
(doi: 10.1006/jmbi.1996.0755)
β-trans-[N 4 {P(Ph)(C 6 H 11 N)} 4 ] 4 - ; a tetraanionic ligand system exhibiting two separated tetradentate coordination sites of concave-shaped cavities
Chemical Communications
(1997)
283
(doi: 10.1039/a607055h)
Organic Molecular Solids
(1997)
Reactivity and Crystal Design in Organic Solid State Chemistry
(1997)
6
The folding pathway of a protein at high resolution from microseconds to seconds
Proc Natl Acad Sci U S A
(1997)
94
826
(doi: 10.1073/pnas.94.3.826)
Electrophile mediated heteroatom cyclizations onto C-C π-bonds. Part 1. Halogen and chalcogen mediated cyclization.
Org. Prep. Proced. Int.
(1997)
29
33
(doi: 10.1080/00304949709355172)
Autoradiographic localization of [22, 23-H-3(2)] dihydroazadirachtin binding sites in desert locust testes and effects of azadirachtin on sperm motility (vol 28, pg 725, 1996)
TISSUE CELL
(1997)
29
129
