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  • Currently displaying 24241 - 24260 of 29959 publications
Author(s)
Publication title
Journal Name
Publication year
The chemisorption and dissociation of ethylene on Pt{111} from first principles
Q Ge, DA King
The Journal of Chemical Physics
(1999)
110
Hydration of UO22+ and PuO22+
S Spencer, L Gagliardi, NC Handy, AG Ioannou, C-K Skylaris, A Willetts, AM Simper
The Journal of Physical Chemistry A
(1999)
103
NMR and ESCA Chemical Shifts in Aluminosilicates:  A Critical Discussion
J Klinowski, TL Barr
Accounts of Chemical Research
(1999)
32
Potential energy function and vibrational states of the electronic ground state of N4+
C Léonard, P Rosmus, S Carter, NC Handy
The Journal of Physical Chemistry A
(1999)
103
Hydrophobicity and unique folding of selected polymers
M Vendruscolo
The European Physical Journal B
(1999)
8
Sum-frequency generation from thiophenol on silver in the mid and far-IR
R Braun, BD Casson, CD Bain, EWM van der Ham, QHF Vrehen, ER Eliel, AM Briggs, PB Davies
The Journal of Chemical Physics
(1999)
110
Computer algebra takes on the vibrating-membrane problem
D Frenkel, L Golebiowski, R Portugal
Computing in Science & Engineering
(1999)
1
Can stacking faults in hard-sphere crystals anneal out spontaneously?
S Pronk, D Frenkel
The Journal of Chemical Physics
(1999)
110
Structural control in the formation of multidecker sandwich anions of plumbocene: The effects of encapsulating the alkali metal counterions
MA Beswick, H Gornitzka, J Kärcher, MEG Mosquera, JS Palmer, PR Raithby, CA Russell, D Stalke, A Steiner, DS Wright
Organometallics
(1999)
18
Preferential hydrogenolysis of NAP esters provides a new orthogonal protecting group strategy for carboxylic acids
MJ Gaunt, CE Boschetti, J Yu, JB Spencer
Tetrahedron Letters
(1999)
40
The vibrational–rotational energy levels of silanone
J Koput, S Carter, NC Handy
Chemical Physics Letters
(1999)
301
First-Principles Calculations of the Ideal Cleavage Energy of Bulk Niobium(111)/α-Alumina(0001) Interfaces
IG Batirev, A Alavi, MW Finnis, T Deutsch
Physical Review Letters
(1999)
82
Enhanced protein crystallization around the metastable critical point
PR ten Wolde, D Frenkel
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
(1999)
101
Cryo-electron microscopy structure of an SH3 amyloid fibril and model of the molecular packing.
JL Jiménez, JI Guijarro, E Orlova, J Zurdo, CM Dobson, M Sunde, HR Saibil
The EMBO Journal
(1999)
18
The chemisorption of spin polarised NO on Ag {111}
MP Jigato, DA King, A Yoshimori
Chemical Physics Letters
(1999)
300
Recoil growth: An efficient simulation method for multi-polymer systems
S Consta, NB Wilding, D Frenkel, Z Alexandrowicz
Journal of Chemical Physics
(1999)
110
Recoil growth: An efficient simulation method for multi-polymer systems
S Consta, NB Wilding, D Frenkel, Z Alexandrowicz
The Journal of Chemical Physics
(1999)
110
Exact general solutions to extraordinary Nbody problems
D LyndenBell, RM LyndenBell
Proceedings of the Royal Society A
(1999)
455
Pressure-Induced Delocalization of Charge Carriers (?Insulator-Metal? Transition) and Magnetic Transformation in Glassy Semiconductors
MI Klinger, SN Taraskin
Physica Status Solidi B Basic Research
(1999)
211
The fundamentals of protein folding: bringing together theory and experiment
CM Dobson, M Karplus
Current opinion in structural biology
(1999)
9