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- Currently displaying 22761 - 22780 of 30849 publications
Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations
Physical Review B
(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 esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/
Crystengcomm
(2003)
5
3
(doi: 10.1039/b211784c)
Calculation of the melting point of NaCl by molecular simulation
Journal of Chemical Physics
(2003)
118
728
(doi: 10.1063/1.1522375)
Supramolecular architectures of cyclohexane-1, 3 cis , 5 cis -tricarboxylic acid in acid∶base complexes
New Journal of Chemistry
(2003)
27
365
(doi: 10.1039/b208686g)
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)
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{1 1 1}
Chemical Physics Letters
(2003)
367
344
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)
RELAXATION OF HCL(UPSILON = 1) AND DCL(UPSILON = 1) BY CL AND O ATOMS
IEEE Journal of Quantum Electronics
(2003)
11
695
(doi: 10.1109/jqe.1975.1068742)
Vibrational relaxation in potentially reactive collisions: Temperature and isotope effects
IEEE Journal of Quantum Electronics
(2003)
11
696
(doi: 10.1109/JQE.1975.1068699)
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{1 0 0}
Chemical Physics Letters
(2003)
367
116
Chiral discrimination of basic and hydrophobic molecules by chemical force spectroscopy
Ultramicroscopy
(2003)
97
297
Calibration of AFM cantilever spring constants.
Ultramicroscopy
(2003)
97
113
The circularization of amyloid fibrils formed by apolipoprotein C-II
Biophys J
(2003)
85
3979
The free energy landscape and dynamics of met-enkephalin
J. Chem. Phys.
(2003)
119
9947-9955
Rotational reorientation dynamics of nile blue A and oxazine 720 in protic solvents
Chemical Physics
(2003)
286
81
Ab initio study of rearrangements between C60 fullerenes
Chem. Phys. Lett.
(2003)
374
125-131
Energy Landscapes
(2003)
Basic concepts for simple and complex liquids
(2003)
