نتایج جستجو برای: molecular modelling

تعداد نتایج: 791082  

2017
Anatoly I. Rusanov Alexander K. Shchekin Nikolai A. Volkov

2008
H. T. Banks

We give a brief review of hysteresis in viscoelastic polymers. The efforts surveyed range from phenomenological to molecular modelling with applications involving recent efforts on elastomers to biotissue.

2000
Mihaly Mezei

It is argued that by optimizing the orientation of a molecule in a cube can improve the efficiency of certain molecular modeling procedures.

2004
Frank Lemke Johann-Adolf Müller Emilio Benfenati

This paper describes the problem of modelling toxicity of environmental pollutants using molecular descriptors from a systems theoretical viewpoint. It is shown that current toxicity modelling problems systematically incorporate very high levels of noise a priori. By means of a set of individual and combined models self-organised by KnowledgeMiner from a high-dimensional molecular descriptor da...

2007
T. J. Millar

We describe a detailed depth-and time-dependent model of the molecular cloud associated with the ultracompact H ii region G34.3+0.15. Previous work on observations of NH 3 and CS indicates that the molecular cloud has three distinct physical components:-an ul-tracompact hot core, a compact hot core and an extended halo. We have used the physical parameters derived from these observations as inp...

1975
Milan Randic

We report here on recent developments in the characterization of molecular branching, molecular cyclicity, molecular shape, and chirality using graph theoretical invariants.

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