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  • Currently displaying 24761 - 24780 of 30210 publications
Author(s)
Publication title
Journal Name
Publication year
Chemical Reactions
IWM Smith
(1999)
Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities
AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
96
An investigation of the change of the nuclear magnetic shielding in HF on forming the Ar···HF complex
AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
96
The vibrational energy levels of ammonia
NC Handy, S Carter, SM Colwell
Molecular Physics
(1999)
96
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
DJ Tozer, RD Amos, NC Handy, BO Roos, L Serrano-ANDRES
Molecular Physics
(1999)
97
THE STRUCTURE OF NOVEL METALLO-PORPHYRINS DETERMINED USING SYNCHROTRON X-RAY RADIATION
N Feeder, PR Raithby, JKM Sanders, SL Darling
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
Rearrangements of Water Dimer and Hexamer
DJ Wales
(1999)
GENETIC ALGORITHMS FOR MOLECULAR RECOGNITION
G Jones, RC Glen, AR Leach, R Taylor, P Willet
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
Comparative ab initio pseudopotential studies of group V overlayers on Si(001)
SCA Gay, SJ Jenkins, GP Srivastava
Journal of Physics Condensed Matter
(1999)
10
Infrared laser velocity modulation spectrum of the ν3 fundamental band of HBCI+
NT Hunt, Z Liu, PB Davies
Molecular Physics
(1999)
97
The effect of the range of the potential on the structure and stability of simple liquids: From clusters to bulk, from sodium to C-60
JPK Doye, DJ Wales
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
29
The overlapping distribution method to compute chemical potentials of chain molecules
GCAM Mooij, D Frenkel
Journal of Physics: Condensed Matter
(1999)
6
Effect of proton motion on molecular properties in the BrH ··· NH3 complex
AM Aicken, AD Buckingham, Y Tantirungrotechai
Molecular Physics
(1999)
97
The simulation of entropic phase transitions
D Frenkel
Journal of Physics: Condensed Matter
(1999)
6
ADC ESTERS, AUTOCLEAVAGE AND CATALYSIS: WHAT THE STRUCTURES SAY.
F von Delft, A Albert, V Dhanaraj, U Genschel, MK Rajmee, M Witty, R Pulido, TL Blundell, AG Smith, C Abell
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
Calculation of integral cross sections for vibrationally inelastic electron-methane scattering
SC Althorpe, FA Gianturco, N Sanna
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
28
Concentration-modulated absorption spectroscopy: profiles of the Na D lines in a hydrocarbon flame
RA Beaman, WJ Jones
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
27
Local interpretation of chaotic dynamics in a many-body classical hamiltonian system
DJ Wales, RS Berry
Journal of Physics B: Atomic, Molecular and Optical Physics
(1999)
24
HREM STUDIES OF SURFACE-CHEMISTRY OF SUPERCONDUCTING YBA2CU3O7-DELTA
W Zhou, DA Jefferson, WY Liang
Superconductor Science and Technology
(1999)
6
Minimal and optimal mechanisms for GroE-mediated protein folding
AP Ben-Zvi, J Chatellier, AR Fersht, P Goloubinoff
Proceedings of the National Academy of Sciences
(1998)
95