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  • Currently displaying 25361 - 25380 of 30384 publications
Author(s)
Publication title
Journal Name
Publication year
General discussion
ER Davidson, K Morokuma, MT Nguyen, WD Allen, DC Clary, NC Handy, GC Schatz, JC Light, JM Bowman, JZH Zhang, U Manthe, JNL Connor, W Jakubetz, DE Manolopoulos, A Kuppermann, PR Taylor, JB Anderson, FJ Aoiz, JF Castillo, A Laganà, O de Aspuru, JC Tully, D Lemoine, A Dobbyn, S Mahapatra, WH Miller, B Poirier, T Stoecklin, J Hutson, DG Truhlar, GBL Nyman, F Huarte-Larrañaga, X Gimenez, SC Althorpe, GG Balint-Kurti, DJ Kouri, GJ Kroes, A Riganelli, E Goldfield, PJ Knowles, C Trindle, HF Schaefer
FARADAY DISCUSSIONS
(1998)
110
Molecular flexibility of N-acyl heterocycles studied using C-13 NMR spectroscopy and computational chemistry
SR Salman, RD Farrant, RC Glen, JC Lindon
Spectroscopy Letters
(1998)
31
Thermodynamics and the Global Optimization of Lennard-Jones Clusters
JPK Doye, DJ Wales, MA Miller
J. Chem. Phys.
(1998)
109
Relaxation dynamics of C-60
TR Walsh, DJ Wales
J. Chem. Phys.
(1998)
109
Small Water Clusters
DJ Wales
(1998)
Is there in truth no beauty?
S Jenkins
Physics World
(1998)
11
Structure and properties of Ne-n(+) clusters from a diatomics-in- molecules approach
FY Naumkin, DJ Wales
\molphys
(1998)
93
Influence of the atom-atom interaction anisotropy on the structure and stability of ArnCl2 clusters
FY Naumkin, DJ Wales
Chem. Phys. Lett.
(1998)
290
Infrared spectra of argon clusters
A Dullweber, DJ Wales
\molphys
(1998)
94
Monitoring protein folding using time-resolved biophysical techniques
KW Plaxco, CM Dobson
PROTEIN DYNAMICS, FUNCTION, AND DESIGN
(1998)
301
Chemical applications of molecular modelling
JM Goodman, RSOCG Britain
(1998)
An ab initio and neutron diffraction study of ammonium chloride
A Alavi, RM Lynden-Bell, PA Willis, IP Swainson, RJC Brown
Canadian Journal of Chemistry
(1998)
76
Atomic structure of a monolayer of Ge on Si(001)(2 × 1)
SJ Jenkins, GP Srivastava
Surface Review and Letters
(1998)
5
Atomic structure of the GaAs(001)-β2(2 × 4) surface
GP Srivastava, SJ Jenkins
Surface Review and Letters
(1998)
5
MOLECULES IN OPTICAL, ELECTRIC, AND MAGNETIC FIELDS: A Personal Perspective
AD Buckingham
Annual Review of Physical Chemistry
(1998)
49
General discussion
MS Child, GR Darling, GJ Kroes, DG Truhlar, JC Light, DA McCormack, DJ Tozer, DC Clary, DM Bird, JZH Zhang, S Holloway, PR Taylor, M Persson, BE Jackson, JB Anderson, JM Bowman, DL Thompson, JT Hynes, MV Basilevsky, D Chandler, M Sprik, K Morokuma, PG Bolhuis, AS Al-Halabi, B Hammer, ER Davidson, JC Tully, TJ Martinez, IH Hillier, RJ Meier, KJ Schulten, A Kuppermann
FARADAY DISCUSSIONS
(1998)
110
"Alkali Activation of Reactive Silicas in Cements: In Situ 29Si MAS NMR Studies of the Kinetics of Silicate Polymerization", in NMR Spectroscopy of Cement Based Materials
AR Brough, IG Richardson, GW Groves, CM Dobson
(1998)
"29Si Isotopic Enrichment and Selective Enrichment for Study by NMR of the Hydration of Model Cements and Blended Cements", in NMR Spectroscopy of Cement Based Materials
AR Brough, CM Dobson, IG Richardson, GW Groves
(1998)
General discussion
DG Truhlar, WL Jorgensen, MT Nguyen, JB Anderson, D Chandler, S Hammes-Schiffer, PG Bolhuis, IH Hillier, C Dellago, JNL Connor, MV Basilevsky, JC Tully, JM Bowman, EM Goldfield, G Katz, TJ Martinez, W Jakubetz, HW Schranz, KJ Schulten, M Sprik, GC Schatz, JT Hynes, IH Williams, PR Taylor, CS Verma, A Laganà, K Morokuma, C Trindle, HF Schaefer, NA Burton, L Blancafort
FARADAY DISCUSS
(1998)
110
"Monitoring Protein Folding Using Time-Resolved Biophysical Techniques", in Protein Dynamics, Function and Design
KW Plaxco, CM Dobson
(1998)