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- Currently displaying 23021 - 23040 of 31130 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)
Focused ion beam fabrication of silicon print masters
Nanotechnology
(2003)
14
220
(doi: 10.1088/0957-4484/14/2/323)
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)
Sectorization of a lamellar polymer crystal studied by dynamic Monte Carlo simulations
Macromolecules
(2003)
36
549
(doi: 10.1021/ma025853l)
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, 3cis, 5cis-tricarboxylic acid in acid : base complexes
New Journal of Chemistry
(2003)
27
365
(doi: 10.1039/b208686g)
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
(2003)
100
394
(doi: 10.1073/pnas.232704999)
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(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 OF CARBON-MONOXIDE (4 LESS-THAN-OR-EQUAL-TO 11) AT 85 K
IEEE Journal of Quantum Electronics
(2003)
QE 9
196
(doi: 10.1109/jqe.1973.1077350)
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
A 2,3-butanedione protected chiral glycine equivalent—a new building block for the stereoselective synthesis of enantiopure N-protected α-amino acids
Chemical Communications
(2003)
3
468
(doi: 10.1039/b210673f)
Design, synthesis and evaluation of bifunctional inhibitors of type II dehydroquinase
Organic & biomolecular chemistry
(2003)
1
2075
(doi: 10.1039/b301731a)
Calibration of AFM cantilever spring constants
Ultramicroscopy
(2003)
97
113
Basic concepts for simple and complex liquids
(2003)
Ab initio study of rearrangements between C60 fullerenes
Chem. Phys. Lett.
(2003)
374
125-131
Why chemical reactions happen
(2003)
Theoretical pKa estimates for solvated P(OH)5 from coordination constrained Car-Parrinello molecular dynamics
Physical Chemistry Chemical Physics
(2003)
5
2612
(doi: 10.1039/b301994b)
