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- Currently displaying 22121 - 22140 of 30217 publications
Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations - art. no. 014201
Physical Review B Condensed Matter and Materials Physics
(2003)
67
014201
(doi: 10.1103/PhysRevB.67.014201)
Sectorization of a Lamellar polymer crystal studied by dynamic Monte Carlo simulations
Macromolecules
(2003)
36
549
(doi: 10.1021/ma0258531)
A computational and experimental search for polymorphs of parabanic acid - A salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl ester
CrystEngComm
(2003)
5
3
(doi: 10.1039/b211784c)
Calculation of the melting point of NaCl by molecular simulation
The Journal of Chemical Physics
(2003)
118
728
(doi: 10.1063/1.1522375)
Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid:base complexes
New Journal of Chemistry
(2003)
27
365
(doi: 10.1039/b208686g)
Self-consistent determination of the transition state for protein folding: application to a fibronectin type III domain.
Proceedings of the National Academy of Sciences of the United States of America
(2003)
100
394
(doi: 10.1073/pnas.232704999)
Vibrational relaxation of carbon monoxide (4 ≤ v ≤ 11) at 85 K
IEEE Journal of Quantum Electronics
(2003)
9
196
(doi: 10.1109/jqe.1973.1077350)
Vibrational relaxation in potentially reactive collisions: Temperature and isotope effects
IEEE Journal of Quantum Electronics
(2003)
11
696
(doi: 10.1109/jqe.1975.1068699)
Relaxation of HCl(v = 1) and DCl(v = 1) by Cl and O atoms
IEEE Journal of Quantum Electronics
(2003)
11
695
(doi: 10.1109/JQE.1975.1068742)
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{1 1 1}
Chemical Physics Letters
(2003)
367
344
A Convenient Method for the Synthesis of Dehydroquinic Acid
Synthetic Communications
(2003)
33
527
(doi: 10.1081/scc-120015805)
A tilt-dependent diffusional potential energy landscape: benzyne on Ir{100}
Chemical Physics Letters
(2003)
367
116
Properties and prediction of mitochondrial transit peptides from Plasmodium falciparum
Molecular and biochemical parasitology
(2003)
132
59
Cooperativity, partially bound states, and enthalpy-entropy compensation.
Chem Biol
(2003)
10
1023
The circularization of amyloid fibrils formed by apolipoprotein C-II.
Biophysical Journal
(2003)
85
3979
Pressure broadening of the lowest rotational transition of H35Cl by N2 and O2
Journal of Molecular Spectroscopy
(2003)
220
107
Membrane protein simulations: ion channels and bacterial outer membrane proteins.
Adv Protein Chem
(2003)
66
159
Modelling of signalling via G-protein coupled receptors: pathway-dependent agonist potency and efficacy.
Bulletin of Mathematical Biology
(2003)
65
933
Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations (see abstract)
Polyhedron
(2003)
22
211
Rotational reorientation dynamics of nile blue A and oxazine 720 in protic solvents
Chemical Physics
(2003)
286
81
