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  • Currently displaying 24741 - 24760 of 30138 publications
Author(s)
Publication title
Journal Name
Publication year
A study of the performance of numerical basis sets in DFT calculations on sulfur‐containing molecules
JA Altmann, NC Handy, VE Ingamells
International Journal of Quantum Chemistry
(1998)
57
The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
J Doye, D Frenkel
(1998)
Gradient-enhanced one-dimensional heteronuclear NOE experiment with 1H detection
K Stott, J Keeler
Magnetic Resonance in Chemistry
(1998)
34
Decoupling: theory and practice. I. Current methods and recent concepts.
R Freeman, E Kupce
NMR Biomed
(1998)
10
Ultraviolet Resonance Raman Spectroscopic Study of the Average Environment of Tyrosine in Native and Denatured Barnase
VW Couling, NW Foster, D Klenerman
Journal of Raman Spectroscopy
(1998)
28
Stereocontrolled synthesis of polyketide libraries: Boron-mediated aldol reactions with aldehydes on solid support
C Gennari, S Ceccarelli, U Piarulli, K Aboutayab, M Donghi, I Paterson
Tetrahedron
(1998)
54
Combined Molecular Dynamics and Φ-Value Analysis of Structure−Reactivity Relationships in the Transition State and Unfolding Pathway of Barnase:  Structural Basis of Hammond and Anti-Hammond Effects
V Daggett, A Li, AR Fersht
Journal of the American Chemical Society
(1998)
120
Competitive adsorption of simple linear alkane mixtures onto graphite
MA Castro, SM Clarke, A Inaba, T Arnold, RK Thomas
The Journal of Physical Chemistry B
(1998)
102
Broadband lidar measurements of tropospheric water vapor profiles
AM South, IM Povey, RL Jones
Journal of Geophysical Research
(1998)
103
Stereoselective synthesis of 1-hydroxymethyl-4-phenylsulfonylbutadienes
JG Urones*, IS Marcos, NM Garrido, P Basabe, AJ Bastida, SG San Feliciano, D Díez, JM Goodman
Synlett
(1998)
1998
The Geometry and Force Field of Thioformaldehyde
S Carter, NC Handy
J Mol Spectrosc
(1998)
192
Wavelet-distributed approximating functional method for solving the Navier-Stokes equation
GW Wei, DS Zhang, SC Althorpe, DJ Kouri, DK Hoffman
Computer Physics Communications
(1998)
115
On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide
A Szarecka, G Day, PJ Grout, S Wilson
Advances in Quantum Chemistry
(1998)
32
The really fast show
S Kelling, D King
New Scientist
(1998)
158
Diagnostics of Molecular Microwave Plasmas by Tunable IR Diode Laser Spectroscopy
J Röpcke, L Mechold, M Käning, WY Fan, PB Davies
VDI Berichte
(1998)
Algebraic decay of velocity fluctuations near a wall
I Pagonabarraga, MHJ Hagen, CP Lowe, D Frenkel
Physical Review E
(1998)
58
Interatomic potential for germanium dioxide empirically fitted to an ab initio energy surface
RD Oeffner, SR Elliott
Physical Review B
(1998)
58
Surface second-order nonlinear optical activity
P Fischer, AD Buckingham
Journal of the Optical Society of America B
(1998)
15
Total synthesis of roflamycoin, an oxopolyene macrolide antibiotic
SD Rychnovsky, UR Khire, G Yang, SV Ley, P Jones
Chemtracts
(1998)
11
Extensions and tests of "multimodes': a code to obtain accurate vibration/rotation energies of many-mode molecules
S Carter, JM Bowman, NC Handy
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
(1998)
100