Understanding molecular interactions between oil and reservoir matrix is crucial to develop a productive strategy for enhanced recovery. Molecular dynamics simulation has become an important method analyzing microscopic mechanisms of some static properties dynamic processes. However, modeling shale still challenging, due their complex features. Wettability, which the measurement oil-matrix inte...

The Wiener matrix and the hyper-Wiener number of a tree (acyclic structure), higher Wiener numbers of a tree that can be represented by a Wiener number sequence W, W,W.... whereW = W is the Wiener index, and R W k K    ,.... 2 , 1 is the hyper-Wiener number. The concepts of the Wiener vector and hyper-Wiener vector of a graph are introduced for the molecular graph of bi-phenylene. Moreover, ...

The effect of graphene flakes on the strength Ni-graphene composites is investigated using molecular dynamics simulation. Rather than introducing as flat structures into Ni matrix, it common in available studies, we introduce them heated liquid and let equilibrate a 14-ns molecular-dynamics run; these are then quenched to obtain composites. By varying interaction flake edge atoms with two diffe...

The extracellular matrix is vital for tissue organisation in multicellular organisms. Cells attach to the extracellular matrix at discrete points on the cell surface, termed cell-matrix contacts. In general molecular terms, these contacts are assembled from large multiprotein complexes. However, many forms of matrix contacts can be distinguished by microscopy or by biochemical criteria, and the...

the fact that the properties of a molecule are tightly connected to its structural  characteristics  is one of the fundamental concepts in chemistry. in this connection,  graph theory has been successfully applied in developing some relationships between topological indices and some thermodynamic properties. so ,  a novel method for computing the new descriptors to construct a quantitative rela...

I. Types of Molecular Data: Certainly the lion’s share of molecular data used in phylogeny estimation in is DNA sequence data, but we should examine other types of molecular data, and some of the characteristics of those data that influence phylogeny estimation. A. Inherently Distance-based Data As I indicated last week, there are molecular phylogenetic approaches in which the nature of the dat...

Publisher: School of Statistics, Renmin University China, Journal: Journal Data Science, Title: The Matrix Expression, Topological Index and Atomic Attribute Molecular Structure, Authors: Qian-Nan Hu, Yi-Zeng Liang, Kai-Tai