Recent Developments in the Methods and Applications of the Bond Valence Model

被引:1001
作者
Brown, Ian David [1 ]
机构
[1] McMaster Univ, Hamilton, ON L9H 2E7, Canada
关键词
MICROWAVE DIELECTRIC-PROPERTIES; NONLINEAR-OPTICAL PROPERTIES; HYDRATED OXYSALT MINERALS; EQUATIONS CORRELATING VALENCE; POTENTIAL-ENERGY SURFACES; NEUTRON-DIFFRACTION DATA; ION CONDUCTION PATHWAYS; SPACE GROUP SYMMETRIES; URANYL-SHEET MINERALS; PROTON-TRANSFER PATH;
D O I
10.1021/cr900053k
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Some of the latest developments in the methods and applications of the bond valence model are discussed. Some of the terms that play a key role in the model, include bonding strength, cation, classical valence, conduction path, and coordination number. Four heuristic principles that are essential for the development of methods and application of the model, include principle of maximum symmetry, electroneutality principle, principle of local charge neutrality, and equal valence principle. A number of significant heuristic principles also form the basis of the theorems of the bond valence model. They describe properties of the minimum energy solution of the ionic model when it is developed using two-body potentials. The principle of maximum symmetry has emerged as the most important principles for the development of methods and the application of the bond valence model.
引用
收藏
页码:6858 / 6919
页数:62
相关论文
共 287 条
[21]   FTIR studies on the bond properties of the aspartyl phosphate moiety of the Ca2+-ATPase [J].
Andersson, Julia ;
Barth, Andreas .
BIOPOLYMERS, 2006, 82 (04) :353-357
[22]   A new simplifying approach to molecular geometry description: the vectorial bond-valence model [J].
Angel Harvey, Miguel ;
Baggio, Sergio ;
Baggio, Ricardo .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2006, 62 (1038-1042) :1038-1042
[23]   General rules for predicting phase transitions in perovskites due to octahedral tilting [J].
Angel, RJ ;
Zhao, J ;
Ross, NL .
PHYSICAL REVIEW LETTERS, 2005, 95 (02)
[24]   The compression of framework minerals: beyond rigid polyhedra [J].
Angel, RJ ;
Ross, NL ;
Zhao, J .
EUROPEAN JOURNAL OF MINERALOGY, 2005, 17 (02) :193-199
[25]  
[Anonymous], 1964, MATH THEORY COMMUNIC
[26]  
[Anonymous], 1981, STRUCT BONDING CRYST, DOI DOI 10.1016/B978-0-12-525102-0.50007-4
[27]   ATOMS IN MOLECULES [J].
BADER, RFW .
ACCOUNTS OF CHEMICAL RESEARCH, 1985, 18 (01) :9-15
[28]   P-O bond destabilization accelerates phosphoenzyme hydrolysis of sarcoplasmic reticulum Ca2+-ATPase [J].
Barth, A ;
Bezlyepkina, N .
JOURNAL OF BIOLOGICAL CHEMISTRY, 2004, 279 (50) :51888-51896
[29]   Van der Waals radii of elements [J].
Batsanov, SS .
INORGANIC MATERIALS, 2001, 37 (09) :871-885
[30]  
BAUR WH, 1981, STRUCTURE BONDING CR, V2, pCH31