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- Currently displaying 25141 - 25160 of 29940 publications
Exchange-correlation functionals from ab initio electron densities
Chemical Physics Letters
(1997)
273
183
Efficiency of Proton Transfer Catalysis in Models and Enzymes
Accounts of Chemical Research
(1997)
30
290
(doi: 10.1021/ar960056r)
Comment on “Structure and spectroscopy of (HCN)n clusters: Cooperative and electronic delocalization effects in C–H⋯N hydrogen bonding” [J. Chem. Phys. 103, 333 (1995)]
The Journal of Chemical Physics
(1997)
107
1030
(doi: 10.1063/1.474471)
Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms
Journal of Physical Chemistry A
(1997)
101
5111
(doi: 10.1021/jp970984n)
Detection of residue contacts in a protein folding intermediate
Proc Natl Acad Sci U S A
(1997)
94
7182
(doi: 10.1073/pnas.94.14.7182)
Infrared laser absorption spectroscopy of rotational and vibration rotational transitions of HeH+ up to the dissociation threshold
Journal of Chemical Physics
(1997)
107
337
(doi: 10.1063/1.474394)
Infrared laser absorption spectroscopy of rotational and vibration rotational transitions of HeH+ up to the dissociation threshold
The Journal of Chemical Physics
(1997)
107
337
(doi: 10.1063/1.474394)
The aggregation of methane in aqueous solution
Physical Chemistry Chemical Physics
(1997)
93
2263
(doi: 10.1039/a608381a)
Molybdenum(II)-catalyzed allylic substitution
Tetrahedron Letters
(1997)
38
4895
Polymer supported perruthenate (PSP): a new oxidant for clean organic synthesis
Journal of the Chemical Society Perkin Transactions 1
(1997)
1907
(doi: 10.1039/a703461j)
The promotion of air oxidation and carbonyl substitution reactions of [(η5-C5H5)2Mo 2(CO)4(μ-RCCR′)] by trimethylamine N-oxide or nitrosonium tetrafluoroborate: the synthesis of [(η5-C5H5)2Mo 2(O)2(μ-O)(μ-RCCR′)] (R = R′ = CO2Me or Ph; R = H, R′ = Ph; or R = H, R′ = CO2Me) and [(η5-C5H5)2Mo 2(CO)3(NO)(μ-RCCR′)][BF4 ] (R = R′ = CO2 Me, Me or H; or R = H, R′ = CO2Me)
Dalton Transactions
(1997)
2309
(doi: 10.1039/a700761b)
The role of glu73 of barnase in catalysis and the binding of barstar
J Mol Biol
(1997)
270
111
(doi: 10.1006/jmbi.1997.1080)
Hydrogen exchange in chymotrypsin inhibitor 2 probed by mutagenesis.
Journal of molecular biology
(1997)
270
99
(doi: 10.1006/jmbi.1997.1088)
Total and state-to-state rate coefficients for rotational energy transfer in collisions between NO(X2Π) and He at temperatures down to 15 K
Chemical Physics Letters
(1997)
272
412
Hydrogen exchange in chymotrypsin inhibitor 2 probed by denaturants and temperature
Journal of molecular biology
(1997)
270
89
(doi: 10.1006/jmbi.1997.1049)
Synthesis and Characterization of the Mesoporous Silicate Molecular Sieve MCM-48
Journal of Physical Chemistry B
(1997)
101
5294
(doi: 10.1021/jp970077i)
Effects of three-body (Axilrod-Teller) forces on the classical and quantum behavior of rare-gas trimers
Physical Review E Statistical Physics Plasmas Fluids and Related Interdisciplinary Topics
(1997)
56
363
(doi: 10.1103/PhysRevE.56.363)
Reactions of the methylidine radical with CH4, C(2)H(2)r C2H4, C2H6, and but-1-ene studied between 23 and 295 K with a CRESU apparatus
ASTRONOMY & ASTROPHYSICS
(1997)
323
644
Polarizability of an electric double-layer
Comptes Rendus de l'Académie des Sciences - Series IIB - Mechanics-Physics-Chemistry-Astronomy
(1997)
325
15
