نتایج جستجو برای: molecular property

تعداد نتایج: 786783  

Journal: :Journal of Materials Science and Chemical Engineering 2022

Silicon carbide and graphene possess extraordinary chemical physical properties. Here, these different systems are linked the changes in structural dynamic properties investigated. For simulations performed a classical molecular (MD) approach was used. In this approach, layer (N = 240 atoms) grafted at distances on top of 6H-SiC structure 2400 onto 3C-SiC 1728 atoms). The between 6H 1.0, 1.3 1....

Journal: :International journal of molecular sciences 2016
Claudiu N Lungu Mircea V Diudea Mihai V Putz Ireneusz P Grudziński

A chemical property space defines the adaptability of a molecule to changing conditions and its interaction with other molecular systems determining a pharmacological response. Within a congeneric molecular series (compounds with the same derivatization algorithm and thus the same brute formula) the chemical properties vary in a monotonic manner, i.e., congeneric compounds share the same chemic...

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