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- Currently displaying 24701 - 24720 of 29350 publications
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)
Extraction of nitric oxide and nitrogen dioxide using molecular sieve 5A
– BRITISH JOURNAL OF ANAESTHESIA
(1997)
78,
344
The electrostatic model of field gradients at nuclei: an application to hydrogen-bonded dimers of Cs symmetry
– Molecular Physics
(1997)
90,
525
(doi: 10.1080/002689797172237)
Statistical model for the structure and gelation of smectite clay suspensions
– Physical Review E
(1997)
55,
3044
(doi: 10.1103/physreve.55.3044)
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
– 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
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)
Synthesis and characterisation of [M2(η5-C5H5)2( CO)4(μ-PH2)(μ-H)] (M = Mo, W); a new route to μ-PH2 complexes involving novel activation of a bridging diphosphorus ligand
– Chemical Communications
(1997)
361
(doi: 10.1039/a608219j)
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
– The 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
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
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3
– The Journal of Physical Chemistry A
(1997)
101,
1384
(doi: 10.1021/jp9628343)