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- Currently displaying 23081 - 23100 of 29398 publications
Extended corresponding-states behavior for particles with variable range attractions
– Journal of Chemical Physics
(2000)
113,
2941
(doi: 10.1063/1.1288684)
The structure and spectroscopy of monolayers of water on MgO: An ab initio study
– Journal of Chemical Physics
(2000)
113,
3344
(doi: 10.1063/1.1287276)
Nuclear shielding constants by density functional theory with gauge including atomic orbitals
– Journal of Chemical Physics
(2000)
113,
2983
(doi: 10.1063/1.1287056)
Chemistry 2000: The first 2000 days.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220,
{39-CINF}
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,
U561
Computational analysis of the competitive formation of acetals: An application to the synthesis of zaragozic acid.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220,
U93
Quantum computing from an NMR perspective.
– ABSTR PAP AM CHEM S
(2000)
220,
U239
Ab initio approach for electro-chemical application.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220,
U236
Gas-phase reactions and collisional energy transfer at ultra-low temperatures.
– ABSTR PAP AM CHEM S
(2000)
220,
U188
Computers in the Cambridge University organic chemistry courses.
– ABSTR PAP AM CHEM S
(2000)
220,
U181
Attila: An efficient method for the conformation searching of cyclic molecules.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220,
U290
Therapeutic heterocyclic compounds
(2000)
Computation of the pK of liquid water using coordination constraints
– Chemical Physics
(2000)
258,
139
Biophysical Characterization of Elongin C from Saccharomyces cerevisiae †
– Biochemistry
(2000)
39,
11137
(doi: 10.1021/bi0008231)
Combined application of analytical techniques for the characterization of polymer supported species
– J Comb Chem
(2000)
2,
491
(doi: 10.1021/cc000021p)
Vibrational relaxation of highly excited toluene in collisions with He, Ar, and N-2 at temperatures down to 38 K
– The Journal of Physical Chemistry A
(2000)
104,
10347
(doi: 10.1021/jp0014216)
Synthesis and structure of [((BuN)-N-t)P(mu-NBut)(2)P(PCy)Li-2 center dot thf](2); an unusual cage compound containing an amido/phosphido functionalised [((BuN)-N-t)P(mu-NBut)(2)P(PCy)](2-) dianion (Cy = C6H11)
– Chemical Communications
(2000)
1439
(doi: 10.1039/b003468l)
Strategies for the synthesis of fluorescently labelled PNA.
– Tetrahedron letters
(2000)
41,
6153
Chemo-enzymatic synthesis of fluorinated sugar nucleotide: Useful mechanistic probes for glycosyltransferases
– Bioorg Med Chem
(2000)
8,
1937
Macromolecular crowding perturbs protein refolding kinetics: Implications for folding inside the cell
– The EMBO journal
(2000)
19,
3870
(doi: 10.1093/emboj/19.15.3870)