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  • Currently displaying 25001 - 25020 of 29657 publications
Author(s)
Publication title
Journal Name
Publication year
Determining new functionals from ab initio data
DJ Tozer, NC Handy
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1997)
213
Functionalized macrocycles via zirconocene coupling.
JR Nitschke, TD Tilley
ABSTR PAP AM CHEM S
(1997)
213
Synthesis and chemistry of dispiroacetals and other 1,2-diacetals.
SV Ley
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1997)
213
Fluorescence properties of a tryptophan residue in an aromatic core of the protein subunit of ribonuclease P from Escherichia coli11Edited by K. Nagai
V Gopalan, R Golbik, G Schreiber, AR Fersht, S Altman
J Mol Biol
(1997)
267
The rotational levels of the ground vibrational state of formaldehyde
S CARTER, N HANDY, J DEMAISON
Molecular Physics
(1997)
90
Structure−Reactivity Correlations in the Catalytic Coupling of Ethyne over Novel Bimetallic Pd/Sn Catalysts
AF Lee, CJ Baddeley, C Hardacre, GD Moggridge, RM Ormerod, RM Lambert, JP Candy, J-M Basset
The Journal of Physical Chemistry B
(1997)
101
NMR Study of Phase Transitions in Guest-Free Silica Clathrate Melanophlogite
S Liu, MD Welch, J Klinowski
The Journal of Physical Chemistry B
(1997)
101
Structure of solid poly(tetrafluoroethylene): A computer simulation study of chain orientational, translational, and conformational disorder
M Sprik, U Röthlisberger, ML Klein
The Journal of Physical Chemistry B
(1997)
101
Investigation of the configurational stability of lithiated phosphine oxides using the Hoffmann test: X-ray structures of (2S*,3S*,4R *)-2-(N,N -dibenzylamino)-4-diphenylphosphinoyl-1-phenylpentan-3-ol and (2S*,4S*)-2-(N, N -dibenzylamino)-4-diphenylphosphinoyl-1-phenylpentan-3-one
P O'Brien, HR Powell, PR Raithby, S Warren
J CHEM SOC PERK T 1
(1997)
Chemisorption and reactivity of nitric oxide on Na-dosed platinum{111}
IR Harkness, RM Lambert
Journal of the Chemical Society Faraday Transactions
(1997)
93
Synthesis of tetrahydroquinolines, hexahydrobenzoindolizines and an aryl phosphonate linker for the generation of catalytic antibodies
C González-Bello, C Abell, FJ Leeper
Journal of the Chemical Society Perkin Transactions 1
(1997)
Development and validation of a genetic algorithm for flexible docking11Edited by F. E. Cohen
G Jones, P Willett, RC Glen, AR Leach, R Taylor
J Mol Biol
(1997)
267
Thermodynamics of the interaction of barnase and barstar: changes in free energy versus changes in enthalpy on mutation11Edited by J. Karn
C Frisch, G Schreiber, CM Johnson, AR Fersht
J Mol Biol
(1997)
267
Stacking of Hexagonal Layers of Colloidal Particles: Study by Small-Angle Neutron Diffraction
SM Clarke, AR Rennie, RH Ottewill
Langmuir
(1997)
13
Coupled aerosol-chemical modeling of UARS HNO3 and N2O5 measurements in the Arctic upper stratosphere
S Bekki, MP Chipperfield, JA Pyle, JJ Remedios, SE Smith, RG Grainger, A Lambert, JB Kumer, JL Mergenthaler
Journal of Geophysical Research
(1997)
102
Kinematic mass model of activated bimolecular reactions: Molecular shape effects and zero-point energy corrections
M Perdih, A Miklavc, IWM Smith
The Journal of Chemical Physics
(1997)
106
Thermal dehydration of hydrous chromium hydroxide gel: In situ studies by total electron-yield XAS
SLM Schroeder, GD Moggridge, T Rayment, RM Lambert
JOURNAL DE PHYSIQUE IV
(1997)
7
Thermal dehydration of hydrous chromium hydroxide gel: In situ studies by total electron-yield XAS
SLM Schroeder, GD Moggridge, T Rayment, RM Lambert
Journal De Physique IV JP
(1997)
7
Dehydration of α-silylalcohols in the reductive conversion of esters and ketones into alkenes
A Chénedé, N Abd.Rahman, I Fleming
Tetrahedron Letters
(1997)
38
Comment on “Relaxation of collective excitations in LJ-13 cluster” [J. Chem. Phys. 105 , 3679 (1996)]
DJ Wales, JPK Doye
The Journal of Chemical Physics
(1997)
106