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- Currently displaying 23141 - 23160 of 29344 publications
An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals
– The Journal of Chemical Physics
(2000)
112,
5639
(doi: 10.1063/1.481139)
A density functional theory study of CH2 and H adsorption on Ni(111)
– Journal of Chemical Physics
(2000)
112,
6006
(doi: 10.1063/1.481173)
A host-guest complex of diaquabis[1-hydroxy-2(1H)-pyridinethionato-O,S]magnesium(II ) and 2,2'-dithiobis(pyridine N-oxide).
– Acta Crystallographica, Section C: Crystal Structure Communications
(2000)
56,
IMPACT: An implicit time integration scheme for chemical species and families
– Annales Geophysicae
(2000)
18,
337
(doi: 10.1007/s005850050893)
Rate constants for the reactions of Cl atoms with HCOOH and with HOCO radicals
– International Journal of Chemical Kinetics
(2000)
32,
85
Synthesis of sulfur compounds and their use in asymmetric synthesis.
– ABSTR PAP AM CHEM S
(2000)
219,
{713-ORGN}
Sum-frequency generation from chiral liquids.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U344
Pinene-derived bipyridine ligands (PINDY) in asymmetric catalysis.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U132
Fast-folding proteins.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U283
Catalyst genesis studied by atomic-force microscopy.
– ABSTR PAP AM CHEM S
(2000)
219,
U524
Studies toward the total synthesis of aplyronine A.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U225
(doi: 10.17863/CAM.32287)
Methane dissociation and partial oxidation on Pt (110).
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U506
Linear electro-optic effects in chiral liquids.
– ABSTR PAP AM CHEM S
(2000)
219,
U323
Aspects of imido-aluminum chemistry.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U775
Protein folding, misfolding, and disease.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
219,
U277
Novel approach for modeling metals in enzyme active sites: Force field model for calcium in the active site of phospholipase A(2) and application to the design of new inhibitors.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220,
141-MEDI
Finite-size corrections to the free energies of crystalline solids
– The Journal of Chemical Physics
(2000)
112,
5339
(doi: 10.1063/1.481102)
Synthesis of Geometrically Well Defined, Molecularly Thin Polymer Films
– Angewandte Chemie - International Edition
(2000)
39,
1058
Catalyst genesis studied by atomic force microscopy
– Surface Science
(2000)
449,
L221
Selective hydrogenolysis of novel benzyl carbamate protecting groups
– Organic letters
(2000)
2,
1049
(doi: 10.1021/ol005589l)