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- Currently displaying 22821 - 22840 of 29959 publications
The transcorrelated method for accurate correlation energies using gaussian-type functions:: examples on He, H2, LiH and H2O (Reprinted from Molecular Physics, vol 23, pg 1-27, 1972)
Molecular Physics
(2002)
100
77
(doi: 10.1080/00268970110088929)
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors - Comment
Molecular Physics
(2002)
100
63
(doi: 10.1080/00268970110088893)
A rigid sphere model for the melting of argon - Comment
Molecular Physics
(2002)
100
21
(doi: 10.1080/00268970110088703)
Comment: A molecular dynamics method for simulations in the canonical ensemble
Molecular Physics
(2002)
100
189
(doi: 10.1080/00268970110089117)
Distributed multipole analysis Methods and applications
Molecular Physics
(2002)
100
221
(doi: 10.1080/00268970110089432)
Synthesis, structures and coordination behaviour of [As(NR) 3 ] 3− trianions
Journal of the Chemical Society Dalton Transactions
(2002)
343
(doi: 10.1039/b106913f)
Disorder-induced zero-energy spectral singularity for random matrices with correlations
Physical Review B Condensed Matter and Materials Physics
(2002)
65
522011
(doi: 10.1103/physrevb.65.052201)
Nitrone dipolar cycloaddition routes to piperidines and indolizidines
Journal of the Chemical Society Perkin Transactions 1
(2002)
2
1494
(doi: 10.1039/b200328g)
Double-quantum-filtered nuclear magnetic resonance spectroscopy applied to quadrupolar nuclei in solids
Journal of Chemical Physics
(2002)
116
710
(doi: 10.1063/1.1425831)
A peptide that binds and stabilizes p53 core domain:: Chaperone strategy for rescue of oncogenic mutants
Proceedings of the National Academy of Sciences
(2002)
99
937
(doi: 10.1073/pnas.241629998)
Microembossing of elastomeric triblock copolymers
Advanced Materials
(2002)
14
47
The crystalline structures of the even alkanes hexane, octane, decane, dodecane and tetradecane monolayers adsorbed on graphite at submonolayer coverages and from the liquidElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b108190j/
Physical Chemistry Chemical Physics
(2002)
4
345
(doi: 10.1039/b108190j)
Magnetism and Structural Chemistry of the n = 1 Ruddlesden−Popper Phases La4LiMnO8 and La3SrLiMnO8
Journal of the American Chemical Society
(2002)
124
620
(doi: 10.1021/ja012023z)
Synthesis of the 3R 2 polytype of a hydrotalcite-like mineral
Journal of Materials Chemistry
(2002)
12
153
(doi: 10.1039/b110715c)
Loss of a metal-binding site in gelsolin leads to familial amyloidosis-Finnish type
Nature Structural & Molecular Biology
(2002)
9
112
(doi: 10.1038/nsb745)
Effective interactions for large-scale simulations of complex fluids
BRIDGING TIME SCALES: MOLECULAR SIMULATIONS FOR THE NEXT DECADE
(2002)
605
167
Diode Laser Spectrum of the ν1 Fundamental Band of PNO
Journal of Molecular Spectroscopy
(2002)
211
107
(doi: 10.1006/jmsp.2001.8487)
Where are the women presidents? - Reply
CHEMISTRY IN BRITAIN
(2002)
38
20
Propene Epoxidation over K-Promoted Ag/CaCO3 Catalysts: The Effect of Metal Particle Size
Catalysis Letters
(2002)
80
93
(doi: 10.1023/a:1015484121891)