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  • Currently displaying 26381 - 26400 of 31130 publications
Author(s)
Publication title
Journal Name
Publication year
Effects of three-body (Axilrod-Teller) forces on the classical and quantum behavior of rare-gas trimers
C Chakravarty, RJ Hinde, DM Leitner, DJ Wales
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(1997)
56
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
A Canosa, IR Sims, D Travers, IWM Smith, BR Rowe
ASTRONOMY & ASTROPHYSICS
(1997)
323
Understanding Molecular Simulation: From Algorithms to Applications
MA Ratner
Physics Today
(1997)
50
Understanding Molecular Simulation
D Frenkel, B Smit, J Tobochnik, SR McKay, W Christian
(1997)
11
Polarisabilité d'une double-couche chargée
E Trizac, J-P Hansen
Comptes Rendus de l Académie des Sciences - Series IIB - Mechanics-Physics-Chemistry-Astronomy
(1997)
325
Importance of electrostatic interactions in the rapid binding of polypeptides to GroEL.
S Perrett, R Zahn, G Stenberg, AR Fersht
J Mol Biol
(1997)
269
In Situ NMR Studies of the Conversion of Methanol into Gasoline on Aluminosilicate and Gallosilicate Offretites
MD Alba, AA Romero, ML Occelli, J Klinowski
Journal of Physical Chemistry B
(1997)
101
Nucleophilic substitution vs. acid–base reactions of [Mn{N(SiMe 3 ) 2 } 2 ]·2thf; syntheses and structures of 2[Li(thf) 4 ] + [Mn(C 12 H 8 N) 4 ] 2- ·C 6 H 5 Me and [Mn(C 12 H 8 N) 2 ]·3thf (thf = tetrahydrofuran, C 12 H 8 N = carbazol-9-yl)
MA Beswick, CN Harmer, PR Raithby, A Steiner, KL Verhorevoort, DS Wright
Dalton Transactions
(1997)
The rate of isomerisation of peptidyl-proline bonds as a probe for interactions in the physiological denatured state of chymotrypsin inhibitor 2
YJ Tan, M Oliveberg, DE Otzen, AR Fersht
J Mol Biol
(1997)
269
Nuclear quadrupole coupling constants in alkali halide molecules: An ab initio quantum chemical study
GB BACSKAY, AD BUCKINGHAM
Molecular Physics
(1997)
91
Constrained minimizations for the calculation of Kohn-Sham and natural orbitals
BDJ TOZER, NC HANDY, P PALMIERI
Molecular Physics
(1997)
91
Properties of fluorophores on solid phase resins; Implications for screening, encoding and reaction monitoring
RH Scott, S Balasubramanian
Bioorganic and Medicinal Chemistry Letters
(1997)
7
Studies towards the synthesis of the zaragozic acids: Synthesis of the bicyclic acetal core of zaragozic acid C
I Paterson, K Fessner, MRV Finlay
Tetrahedron Letters
(1997)
38
Electrical-conductivity calculation in ab initio simulations of metals: Application to liquid sodium
PL Silvestrelli, A Alavi, M Parrinello
Physical Review B Condensed Matter and Materials Physics
(1997)
55
Studies in macrolide synthesis: Stereocontrolled synthesis of a C-1-C-13 segment of concanamycin A.
I Paterson, MD McLeod
Tetrahedron Letters
(1997)
38
Demixing in hard ellipsoid rod-plate mixtures
PJ Camp, MP Allen, PG Bolhuis, D Frenkel
Journal of Chemical Physics
(1997)
106
How to calculate the true vibrational density of states from inelastic neutron scattering
SN Taraskin, SR Elliott
Physica B Condensed Matter
(1997)
234
Five years of NO2 vertical column measurements at Faraday (65°S): Evidence for the hydrolysis of BrONO2 on Pinatubo aerosols
JR Slusser, DJ Fish, EK Strong, RL Jones, HK Roscoe, A Sarkissian
Journal of Geophysical Research
(1997)
102
Spectroscopic study of complex formation between alkali metal ions and chromogenic calixarene derivatives
M Kubinyi, I Mohammed-Ziegler, A Grofcsik, I Bitter, WJ Jones
Journal of Molecular Structure
(1997)
408
Efficiency of proton transfer catalysis. Intramolecular general acid catalysis of the hydrolysis of dialkyl acetals of benzaldehyde
CJ Brown, AJ Kirby
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
(1997)