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- Currently displaying 24761 - 24780 of 30210 publications
Chemical Reactions
(1999)
59
Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities
Molecular Physics
(1999)
96
1225
(doi: 10.1080/00268979909483067)
An investigation of the change of the nuclear magnetic shielding in HF on forming the Ar···HF complex
Molecular Physics
(1999)
96
1217
(doi: 10.1080/00268979909483066)
The vibrational energy levels of ammonia
Molecular Physics
(1999)
96
477
(doi: 10.1080/00268979909482985)
Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
Molecular Physics
(1999)
97
859
(doi: 10.1080/00268979909482888)
THE STRUCTURE OF NOVEL METALLO-PORPHYRINS DETERMINED USING SYNCHROTRON X-RAY RADIATION
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
416
Rearrangements of Water Dimer and Hexamer
(1999)
86-110
GENETIC ALGORITHMS FOR MOLECULAR RECOGNITION
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
26
Comparative ab initio pseudopotential studies of group V overlayers on Si(001)
Journal of Physics Condensed Matter
(1999)
10
7751
(doi: 10.1088/0953-8984/10/35/009)
Infrared laser velocity modulation spectrum of the ν3 fundamental band of HBCI+
Molecular Physics
(1999)
97
205
(doi: 10.1080/00268979909482823)
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
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
29
4859
(doi: 10.1088/0953-4075/29/21/002)
The overlapping distribution method to compute chemical potentials of chain molecules
Journal of Physics: Condensed Matter
(1999)
6
3879
(doi: 10.1088/0953-8984/6/21/012)
Effect of proton motion on molecular properties in the BrH ··· NH3 complex
Molecular Physics
(1999)
97
167
(doi: 10.1080/00268979909482819)
The simulation of entropic phase transitions
Journal of Physics: Condensed Matter
(1999)
6
A71
(doi: 10.1088/0953-8984/6/23a/008)
ADC ESTERS, AUTOCLEAVAGE AND CATALYSIS: WHAT THE STRUCTURES SAY.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(1999)
55
327
Calculation of integral cross sections for vibrationally inelastic electron-methane scattering
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
28
4165
(doi: 10.1088/0953-4075/28/18/018)
Concentration-modulated absorption spectroscopy: profiles of the Na D lines in a hydrocarbon flame
Journal of Physics B Atomic Molecular and Optical Physics
(1999)
27
2139
(doi: 10.1088/0953-4075/27/11/010)
Local interpretation of chaotic dynamics in a many-body classical hamiltonian system
Journal of Physics B: Atomic, Molecular and Optical Physics
(1999)
24
L351
(doi: 10.1088/0953-4075/24/14/004)
HREM STUDIES OF SURFACE-CHEMISTRY OF SUPERCONDUCTING YBA2CU3O7-DELTA
Superconductor Science and Technology
(1999)
6
81
(doi: 10.1088/0953-2048/6/2/002)
Minimal and optimal mechanisms for GroE-mediated protein folding
Proceedings of the National Academy of Sciences
(1998)
95
15275
(doi: 10.1073/pnas.95.26.15275)