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Journal of Chemical Information and Computer Sciences, 2000
Several currently used measures of the complexity of molecules, such as, for example, those by Bertz and Randic or those based on the number of spanning trees, are briefly reviewed. We also proposed as complexity measures the sum of vertex-weights and the sum of edge-weights and their variants related to partition of vertex-weights and edge-weights ...
Sonja Nikolic +2 more
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Several currently used measures of the complexity of molecules, such as, for example, those by Bertz and Randic or those based on the number of spanning trees, are briefly reviewed. We also proposed as complexity measures the sum of vertex-weights and the sum of edge-weights and their variants related to partition of vertex-weights and edge-weights ...
Sonja Nikolic +2 more
openaire +3 more sources
Drug Discovery Today, 2000
Monitor provides an insight into the latest developments in drug discovery through brief synopses of recent presentations and publications together with expert commentaries on the latest technologies. There are two sections: Molecules summarizes the chemistry and the pharmacological significance and biological relevance of new molecules reported in the
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Monitor provides an insight into the latest developments in drug discovery through brief synopses of recent presentations and publications together with expert commentaries on the latest technologies. There are two sections: Molecules summarizes the chemistry and the pharmacological significance and biological relevance of new molecules reported in the
openaire +2 more sources
Journal of Molecular Evolution, 1974
The study of interstellar molecules broadly includes two areas of interest. One area uses the unique ability of molecules to act as probes of the physical conditions in the cold, dense, visually opaque component of the interstellar medium. The physical properties of this and other components of the interstellar medium are summarized.
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The study of interstellar molecules broadly includes two areas of interest. One area uses the unique ability of molecules to act as probes of the physical conditions in the cold, dense, visually opaque component of the interstellar medium. The physical properties of this and other components of the interstellar medium are summarized.
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Infrared light on molecule-molecule and molecule-surface collisions
Physical Review A, 2015By analyzing measured infrared absorption of pure $\mathrm{C}{\mathrm{H}}_{4}$ gas under both ``free'' (large sample cell) and ``confined'' (inside the pores of a silica xerogel sample) conditions we give a demonstration that molecule-molecule and molecule-surface collisions lead to very different propensity rules for rotational-state changes.
Tran, H. +10 more
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The Journal of Physical Chemistry B, 2006
In this paper we present a joint experimental and theoretical approach for the study of the assembly of end-substituted oligothiophenes at surfaces with different polarities (i.e., mica vs graphite). Scanning probe microscopy studies of (sub)monolayer deposits show various types of structures (one-dimensional fibrils, two-dimensional regular layers ...
Surin, Mathieu +7 more
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In this paper we present a joint experimental and theoretical approach for the study of the assembly of end-substituted oligothiophenes at surfaces with different polarities (i.e., mica vs graphite). Scanning probe microscopy studies of (sub)monolayer deposits show various types of structures (one-dimensional fibrils, two-dimensional regular layers ...
Surin, Mathieu +7 more
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Science, 2007
We found that anthraquinone diffuses along a straight line across a flat, highly symmetric Cu(111) surface. It can also reversibly attach one or two CO 2 molecules as “cargo” and act as a “molecule carrier,” thereby transforming the diffusive behavior of the CO 2 molecules from isotropic to ...
K L, Wong +9 more
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We found that anthraquinone diffuses along a straight line across a flat, highly symmetric Cu(111) surface. It can also reversibly attach one or two CO 2 molecules as “cargo” and act as a “molecule carrier,” thereby transforming the diffusive behavior of the CO 2 molecules from isotropic to ...
K L, Wong +9 more
openaire +3 more sources
Molecules in molecules calculations on decacyclene
Theoretica Chimica Acta, 1971The “molecules in molecules” method has been used to calculate the energies of the lowest four excited states of the decacyclene molecule which has been regarded as composed of three acenaphtylene biradicals. Comparison with experimental data and previous theoretical results shows that the results obtained with the present method are satisfactory.
C. J. M. Brugman +3 more
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