Results 261 to 270 of about 3,334,982 (276)
Some of the next articles are maybe not open access.
Rationalization of molecular models
1985Publisher Summary This chapter presents two methods by which one can obtain a model of perfect geometry that is an optimal fit to a set of experimental or target coordinates. The first method uses a model of perfect geometry that is adjusted by internal rotation about single valence bonds until the fit is optimal.
openaire +3 more sources
Molecular Modeling at Plastic Recycling
AIP Conference Proceedings, 2007The possibility to model the new materials from recycled, post industrial polymer rejects by molecular modeling methods was investigated by comparison of the results obtained from the simulation process and the experiments.
Martinelli L. +6 more
openaire +3 more sources
Computerized Molecular Modeling of Carbohydrates
2010Computerized molecular modeling continues to increase in capability and applicability to carbohydrates. This chapter covers nomenclature and conformational aspects of carbohydrates, perhaps of greater use to computational chemists who do not have a strong background in carbohydrates, and its comments on various methods and studies might be of more use ...
Glenn P. Johnson, Alfred D. French
openaire +3 more sources