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- Currently displaying 23621 - 23640 of 29959 publications
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)
Computational analysis of the competitive formation of acetals: An application to the synthesis of zaragozic acid.
ABSTR PAP AM CHEM S
(2000)
220
{382-ORGN}
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 A2 and application to the design of new inhibitors.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220
U561
Ab initio approach for electro-chemical application.
ABSTR PAP AM CHEM S
(2000)
220
U236
Quantum computing from an NMR perspective.
ABSTR PAP AM CHEM S
(2000)
220
U239
Computers in the Cambridge University organic chemistry courses.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220
{332-CHED}
Gas-phase reactions and collisional energy transfer at ultra-low temperatures.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220
U188
Attila: An efficient method for the conformation searching of cyclic molecules.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2000)
220
{89-COMP}
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
ACS Combinatorial Science
(2000)
2
491
(doi: 10.1021/cc000021p)
Vibrational relaxation of highly excited toluene in collisions with He, Ar, and N2 at temperatures down to 38 K
The Journal of Physical Chemistry A
(2000)
104
10347
(doi: 10.1021/jp0014216)
Synthesis and structure of [(Bu(t)N)P(μ-NBu(t))2P(PCy)Li2·thf]2; an unusual cage compound containing an amido/phosphido functionalised [(Bu(t)N)P(μ-NBu(t))2P(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
Macromolecular crowding perturbs protein refolding kinetics: implications for folding inside the cell
EMBO Journal
(2000)
19
3870
(doi: 10.1093/emboj/19.15.3870)
Solvothermal Construction of a Coordination Polymer around in Situ Generated Pyroglutamic Acid: Preparation, Crystal Structure, and Magnetic Behavior of [Mn(C5H6NO3)2]∞
Inorg Chem
(2000)
39
3705
(doi: 10.1021/ic9912427)
Chemo-enzymatic synthesis of fluorinated sugar nucleotide:: Useful mechanistic probes for glycosyltransferases
Bioorganic & Medicinal Chemistry
(2000)
8
1937
