Chemical Physics, 2000, V 261, N 1-2, 1 November.

 
M.R. Johnson, G.J. Kearley and J. Eckert
Preface
vii-ix

Gerald R. Kneller
Inelastic neutron scattering from damped collective
vibrations of macromolecules   
1-24

Konrad Hinsen, Andrei-Jose Petrescu, Serge Dellerue, Marie-Claire
Bellissent-Funel and Gerald R. Kneller Harmonicity in slow protein dynamics 
25-37

 Alessandro Paciaroni, Francesco Sacchetti and Salvatore Cannistraro
A Monte Carlo analysis of the elastic incoherent neutron
scattering data in hydrated azurin   
39-45

 F. Alvarez, A. Arbe and J. Colmenero
Methyl group dynamics above the glass transition temperature:
a molecular dynamics simulation in polyisoprene  
47-59

 G.D. Smith, W. Paul, M. Monkenbusch and D. Richter
A comparison of neutron scattering studies and computer simulations of polymer
melts   
61-74

 N.-D. Morelon, M. Bée and J. Combet
Molecular dynamics simulation of a channel type inclusion
compound: comparison with neutron scattering experiments     
75-88

 Amy L.R. Bug and Glenn J. Martyna
Calculation of neutron spectra for hydrogen in zeolites:
rotational motions and translational motions in the Born-Oppenheimer limit
89-110

 N.J. Henson, J. Eckert, P.J. Hay and A. Redondo
Adsorption of ethane and ethene in Na-Y studied by inelastic
neutron scattering and computation   
111-124

Jean-Christophe Soetens, Arnaud Desmedt, François Guillaume, Kenneth D.M. Harris
Molecular dynamics simulation study of cyclohexane guest
molecules in the cyclohexane/thiourea inclusion compound     
125-135

 Frans Trouw, Dmitry Bedrov, Oleg Borodin and Grant D. Smith
Diffusion in aqueous solutions of 1,2-dimethoxyethane:
comparison of molecular dynamics simulations and quasielastic neutron scattering
137-148

 S. Mitra, R. Mukhopadhyay and K. Venu
Molecular motions in liquid crystal BBBA (4O.4): QENS study
149-156

 P. Vorderwisch, S. Hautecler, G.J. Kearley and F. Kubanek
Influence of the guest molecule on the rotational potential
for NH3 groups in Hofmann clathrates 
157-164

 J. Meinnel et al.
Structure of trihalogenomesitylenes and tunneling of the
methyl groups protons - II. Protonated tribromomesitylene    
165-187

 M. Plazanet et al.
The structure and dynamics of crystalline durene by neutron
scattering and numerical modelling using density functional methods
189-203

 Taner Yildirim
Structure and dynamics from combined neutron scattering and
first-principles studies 
205-216

 

 Marie-Pierre Gaigeot et al.
Analysis of the structural and vibrational properties of RNA
building blocks by means of neutron inelastic scattering and
density functional theory calculations     
217-237

 Francisco Partal, Manuel Fernández-Gómez, Juan J. López-González,
 Amparo Navarro and Gordon J. Kearley
Vibrational analysis of the inelastic neutron scattering spectrum of pyridine
239-247

 Bruce S. Hudson et al.
The inelastic incoherent neutron spectrum of crystalline
oxamide: experiment and simulation of a solid
249-260

 Stewart F. Parker, Henryk Herman, Anette Zimmerman and Kenneth P.J. Williams
The vibrational spectrum of K2PdCl4: first detection of the silent mode [nu]5  261-266

 A. Mellergĺrd and R.L. McGreevy
Recent developments of the RMCPOW method for structural modelling    
267-274