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- Currently displaying 24481 - 24500 of 30849 publications
Kinetic energy functionals from the Kohn-Sham potential
Physical Chemistry Chemical Physics
(2000)
2
5049
(doi: 10.1039/b005896n)
A Li(10) Cage Containing the
Angewandte Chemie
(2000)
39
4145
A New Highly Efficient Catalyst System for the Coupling of Nonactivated and Deactivated Aryl Chlorides with Arylboronic Acids
Angewandte Chemie (International ed. in English)
(2000)
39
4153
Sum frequency generation on surfactant-coated gold nanoparticles
Journal of the American Chemical Society
(2000)
122
12031
(doi: 10.1021/ja002785e)
Three-wave mixing in chiral liquids.
Physical Review Letters
(2000)
85
4253
(doi: 10.1103/physrevlett.85.4253)
FRET Fluctuation Spectroscopy: Exploring the Conformational Dynamics of a DNA Hairpin Loop
The Journal of Physical Chemistry B
(2000)
104
11551
(doi: 10.1021/jp001560n)
A variational method for the calculation of spin-rovibronic energy levels of triatomic molecules with three interacting electronic states
Molecular Physics
(2000)
98
1697
(doi: 10.1080/00268970009483375)
Two interacting electrons in a box: An exact diagonalization study
Journal of Chemical Physics
(2000)
113
7735
(doi: 10.1063/1.1316045)
Predictions of rotation–vibration effects in time-resolved photoelectron angular distributions
The Journal of Chemical Physics
(2000)
113
7901
(doi: 10.1063/1.1315356)
Conformationally stressed phthalocyanines: the non-planarity of the 1,4,8,11,15,18,22,25-octaisopentyl derivative
Chemical Communications
(2000)
2133
(doi: 10.1039/b006935n)
Hydrothermal crystal engineering using hard and soft acids and bases: synthesis and X-ray crystal structures of the metal hydroxide-based phases M3M′2(OH)2[NC5H3 (CO2)2-2,4]4(H2O)4 (M = Co, Ni, Zn; M′ = Pd, Pt)Electronic supplementary information (ESI) available: elemental analysis, IR data, unit cell parameters and selected bond lengths and angles. See http://www.rsc.org/suppdata/cc/b0/b006094l/ for crystallographic files in .cif format.
Chemical Communications
(2000)
2107
(doi: 10.1039/b006094l)
19F/23Na Double Resonance MAS NMR Study of Oxygen/Fluorine Ordering in the Oxyfluoride Na5W3O9F5
Chemistry of Materials
(2000)
12
3611
(doi: 10.1021/cm000355h)
Successful application of electrochemical promotion to the design of effective conventional catalyst formulations
Solid State Ionics
(2000)
136-137
783
Electrochemical promotion of catalytic reactions using alkali ion conductors
Solid State Ionics
(2000)
136
677
Efficient free energy calculations by variationally optimized metric scaling: Concepts and applications to the volume dependence of cluster free energies and to solid–solid phase transitions
The Journal of Chemical Physics
(2000)
113
7035
(doi: 10.1063/1.1313537)
Trapping the tetrahedral intermediate in the 1,3-shift of an acetyl group using a triisopropylsilyl group
JOURNAL OF THE INDIAN CHEMICAL SOCIETY
(2000)
77
593
Comparison of two optimization methods to derive energy parameters for protein folding: Perceptron and Z score
Proteins: Structure, Function, and Genetics
(2000)
41
192
Binding of vancomycin group antibiotics to D-alanine and D-lactate presenting self-assembled monolayers.
Bioorganic & Medicinal Chemistry
(2000)
8
2609
A three‐dimensional model calculation of the ozone depletion potential of 1‐bromopropane (1‐C3H7Br)
Journal of Geophysical Research: Atmospheres
(2000)
105
26493
(doi: 10.1029/2000JD900293)
Elastic Constant Calculations for Molecular Organic Crystals
Crystal Growth & Design
(2000)
1
13
(doi: 10.1021/cg0055070)