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- Currently displaying 26301 - 26320 of 30921 publications
The electrostatic model of field gradients at nuclei: An application to hydrogen-bonded dimers of C-s symmetry
Molecular Physics
(1997)
90
525
(doi: 10.1080/002689797172237)
Surveying a potential energy surface by eigenvector-following: Applications to global optimisation and the structural transformations of clusters
Zeitschrift für Physik D Atoms Molecules and Clusters
(1997)
40
194
(doi: 10.1007/s004600050192)
Structural and electronic properties of Sn overlayers and PdSn surface alloys on Pd(111)
Surface Science
(1997)
373
195
Instability, unfolding and aggregation of human lysozyme variants underlying amyloid fibrillogenesis
Nature
(1997)
385
787
(doi: 10.1038/385787a0)
Coadsorption of sodium dodecyl sulfate and dodecanol at a hydrophobic surface
The Journal of Physical Chemistry B
(1997)
101
1594
(doi: 10.1021/jp962565g)
Combined MAS NMR and X-ray Powder Diffraction Structural Characterization of Hydrofluorocarbon-134 Adsorbed on Zeolite NaY: Observation of Cation Migration and Strong Sorbate−Cation Interactions
Journal of the American Chemical Society
(1997)
119
1981
(doi: 10.1021/ja963565x)
Fluctuation, relaxation and rearrangement dynamics of a model (H2O)(20) cluster: Non-statistical dynamical behavior
Journal of Chemical Physics
(1997)
106
3329
(doi: 10.1063/1.473081)
Higher-order gradient corrections for exchange-correlation functionals
Chemical Physics Letters
(1997)
266
16
Synthesis and characterisation of [M(2)(eta(5)-C5H5)(2)(CO)(4)(mu-PH2)(mu-H)] (M=Mo,W); A new route to mu-PH2 complexes involving novel activation of a bridging diphosphorus ligand
Chemical Communications
(1997)
361
(doi: 10.1039/a608219j)
Preparation, structure, derivatisation and NMR data of cyclohexane-1,2-diacetal protected carbohydrates
Journal of the Chemical Society Perkin Transactions 1
(1997)
351
(doi: 10.1039/a605851e)
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
Modified configurational bias Monte Carlo method for simulation of polymer systems
Journal of Chemical Physics
(1997)
106
2970
(doi: 10.1063/1.473356)
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
Distribution of tetrahedral and octahedral Al sites in gamma alumina
Chemical Physics Letters
(1997)
265
673
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SCIENCE
(1997)
275
912
On the accuracy of molecular exchange-correlation potentials computed from electron densities
Chemical Physics Letters
(1997)
265
614
Gradient Line Reaction Paths for Hindered Internal Rotation in H2BNH2 and Inversion in PF3
Journal of Physical Chemistry A
(1997)
101
1384
(doi: 10.1021/jp9628343)
A spectroscopic study of the chemistry and reactivity of SO2 on Pt{111}: Reactions with O2, CO and C3H6
Surface Science
(1997)
372
279