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- Currently displaying 19841 - 19860 of 29657 publications
Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential
Chem. Phys. Lett.
(2005)
416
302
(doi: 10.1016/j.cplett.2005.09.019)
Template-Aluminosilicate Structures at the Early Stages of Zeolite ZSM-5 Formation. A Combined Preparative, Solid-state NMR, and Computational Study
The journal of physical chemistry. B
(2005)
109
22767
(doi: 10.1021/jp053217u)
Critical Influence of Adsorption Geometry in the Heterogeneous Epoxidation of “Allylic” Alkenes: Structure and Reactivity of Three Phenylpropene Isomers on Cu(111)
Journal of the American Chemical Society
(2005)
127
17007
(doi: 10.1021/ja055635i)
Coarse-graining diblock copolymer solutions: a macromolecular version of the Widom–Rowlinson model
Molecular Physics
(2005)
103
3045
(doi: 10.1080/00268970500186086)
Special Issue: Special Issue in Honour of Professor Benjamin Widom - Foreword
Molecular Physics
(2005)
103
2815
(doi: 10.1080/00268970500338711)
Energy landscapes and properties of biomolecules.
Physical biology
(2005)
2
S86
(doi: 10.1088/1478-3975/2/4/s02)
Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: Structure, dynamics, and redox properties
The Journal of Physical Chemistry B
(2005)
110
3614
(doi: 10.1021/jp054841+)
On the correlation between bond-length change and vibrational frequency shift in hydrogen-bonded complexes: A computational study of Y•••HCl dimers (Y = N2, CO, BF)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2005)
127
15515
(doi: 10.1021/ja0543651)
The Structure of the Chiral Pt{531} Surface: A Combined LEED and DFT Study
Journal of Physical Chemistry B
(2005)
109
22456
(doi: 10.1021/jp053321b)
Quantum delocalization of hydrogen in the Li2NH crystal
Journal of Physical Chemistry B
(2005)
109
22089
(doi: 10.1021/jp054961h)
DNA molecular motor driven micromechanical cantilever arrays.
Journal of the American Chemical Society
(2005)
127
17054
(doi: 10.1021/ja0554514)
Mononuclear and Polynuclear Chain Complexes of a Series of Multinucleating N/S Donor Ligands
European Journal of Inorganic Chemistry
(2005)
2005
4533
(doi: 10.1002/ejic.200500704)
Catalyst patterning methods for surface-bound chemical vapor deposition of carbon nanotubes
Applied Physics A: Materials Science & Processing
(2005)
81
1559
(doi: 10.1007/s00339-005-3338-6)
Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate
Journal of Molecular Structure
(2005)
754
51
Synthesis of 5-aza-analogues of angucyclines: Manipulation of the 2-deoxy-C-glycoside subunit
Tetrahedron Letters
(2005)
46
7669
(doi: 10.1016/j.tetlet.2005.09.053)
Use of p-nitrobenzyloxycarbonyl (pNZ) as a permanent protecting group in the synthesis of Kahalalide F analogs
Tetrahedron Letters
(2005)
46
7737
(doi: 10.1016/j.tetlet.2005.09.044)
Semipermanent p-nitrobenzyloxycarbonyl (pNZ) protection of Orn and Lys side chains: prevention of undesired α-Fmoc removal and application to the synthesis of cyclic peptides
Tetrahedron Letters
(2005)
46
7733
(doi: 10.1016/j.tetlet.2005.09.043)
Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.
Dalton Trans.
(2005)
6
108
(doi: 10.1039/b512068c)
Switching the Properties of Polyelectrolyte Brushes via “Hydrophobic Collapse”
Macromolecules
(2005)
38
10192
(doi: 10.1021/ma051549r)
Anionic phospholipid interactions with the potassium channel KcsA: Simulation studies
Biophys J
(2005)
90
822
(doi: 10.1529/biophysj.105.071407)
