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  • Currently displaying 23501 - 23520 of 30961 publications
Author(s)
Publication title
Journal Name
Publication year
AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE SOLVATION AND TRANSPORT OF H3O+ AND OH- IONS IN WATER
M Tuckerman, K Laasonen, M Sprik, M Parrinello
Journal of Physical Chemistry
(2002)
99
Surface Structure and Reactivity in the Cyclization of Acetylene to Benzene with Pd Overlayers and Pd/Au Surface Alloys on Au{111}
CJ Baddeley, RM Ormerod, AW Stephenson, RM Lambert
The Journal of Physical Chemistry
(2002)
99
DETECTION OF FULLEROID SITES IN FULLERENE-60 BY HIGH-RESOLUTION SOLID-STATE H-1-NMR
W Kolodziejski, A Corma, J Barras, J Klinowski
Journal of Physical Chemistry
(2002)
99
Solid-State NMR and ESCA Studies of the Framework Aluminosilicate Analcime and Its Gallosilicate Analog
H He, C-F Cheng, S Seal, TL Barr, J Klinowski
Journal of Physical Chemistry
(2002)
99
Comparison of the Gaussian and Bessel Function Exchange Functionals with the Hartree-Fock Exchange for Molecules
GJ Laming, NC Handy, WH Miller
The Journal of Physical Chemistry
(2002)
99
H-1 AND C-13 SOLID-STATE NMR-STUDIES OF 1,8-BIS(DIMETHYLAMINO)NAPHTHALENE AND ITS COMPLEXES
K Wozniak, H He, J Klinowski, E Grech
Journal of Physical Chemistry
(2002)
99
Energy Transfer in the 3<sub>1,2<sub>1,4<sub>1,5<sub>1 Fermi Resonant States of Acetylene. 2. Vibrational Energy Transfer
MJ Frost, IWM Smith
The Journal of Physical Chemistry
(2002)
99
Hydrothermal synthesis of zeolites from 5-coordinate silicon compounds
B Herreros, J Klinowski
The Journal of Physical Chemistry
(2002)
99
Mesopore Molecular Sieve MCM-41 Containing Framework Aluminum
Z Luan, C-F Cheng, W Zhou, J Klinowski
Journal of Physical Chemistry
(2002)
99
New approach to bonding in transition-metal clusters and related compounds
AJ Stone
Inorganic Chemistry
(2002)
20
Vibronic Polarization in the Electronic Spectra of Gillespite, a Mineral Containing Iron(II) in Square-Planar Coordination
RG Burns, MG Clark, AJ Stone
Inorganic Chemistry
(2002)
5
Layered Titanate Pillared with Alumina
MW Anderson, J Klinowski
Inorganic Chemistry
(2002)
29
PROTONATION OF FEP(CH2CH2CH2PME2)3H-2 WITH ALCOHOLS TO FORM FEP(CH2CH2CH2PME2)3H(ETA-2-H-2)+
N Bampos, LD Field
Inorganic Chemistry
(2002)
29
Ligand fields from misdirected valency. 5. Consequences for spectral intensity distributions
MJ Duer, M Gerloch
Inorganic Chemistry
(2002)
28
Bonding in transition-metal clusters
DJ Wales, AJ Stone
\ic
(2002)
28
A K3-CONTAINING TRIGONAL-BIPYRAMIDAL CLUSTER - SYNTHESIS OF (KSCN)3.5HMPA BY REACTION OF SOLID NH4SCN WITH SOLID K OR KH IN TOLUENE HMPA AND ITS CRYSTAL-STRUCTURE REVEALING A TRIANGLE OF 3 K+ IONS LINKED BY 3 EQUATORIAL MU-2-HMPA LIGANDS AND BICAPPED BY 2 MU-3-HMPA LIGANDS
D Barr, MJ Doyle, SR Drake, PR Raithby, R Snaith, DS Wright
Inorganic Chemistry
(2002)
28
Theoretical Study of Rearrangements in Boranes
DJ Wales, AJ Stone
Inorganic Chemistry
(2002)
26
Ligand fields from misdirected valency. 2. Bent bonding in copper(II) acetylacetonates
RJ Deeth, MJ Duer, M Gerloch
Inorganic Chemistry
(2002)
26
LIGAND-FIELDS FROM MISDIRECTED VALENCY .1. LONE-PAIR CONTRIBUTIONS IN PLANAR COBALT(II) SCHIFF-BASE COMPLEXES
RJ Deeth, MJ Duer, M Gerloch
Inorganic Chemistry
(2002)
26
A highly siliceous structural analog of zeolite Y: high-resolution solid-state silicon-29 and aluminum-27 NMR studies
J Klinowski, JM Thomas, CA Fyfe, GC Gobbi, JS Hartman
Inorganic Chemistry
(2002)
22