LATTICE EFFECTS ON BONDING, COVALENCY, AND TRANSFERRED HYPERFINE INTERACTION IN K2NACRF6 AND CRF3

被引：17
作者：
BARANDIARAN, Z
PUEYO, L
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 04期
关键词：
D O I：
10.1063/1.446858
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：1597 / 1604
页数：8
相关论文
共 34 条
[1]   EFFECTS OF A PARTIAL RELAXATION OF THE CRYSTAL-LATTICE ON THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRF63- IN ISOLATED-CLUSTER AND SHARED-CLUSTER CRYSTALS [J].
BARANDIARAN, Z ;
PUEYO, L .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1926-1932
[2]   THE CLUSTER LATTICE INTERACTION IN THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRF6(3-) IN K2NACRF6 [J].
BARANDIARAN, Z ;
PUEYO, L ;
BELTRAN, FG .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4612-4618
[3]   LIGAND RELAXATION IN COPPER-ATOM-DOPED AND SILVER-ATOM-DOPED ALKALI-HALIDES [J].
BARRIUSO, MT ;
MORENO, M .
PHYSICAL REVIEW B, 1982, 26 (04) :2271-2274
[4]  
BARRIUSO MT, COMMUNICATION
[5]  
BARRIUSO MT, UNPUB
[6]   ON THE RML DEPENDENCE OF 10DQ [J].
BERMEJO, M ;
PUEYO, L .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (02) :854-857
[7]   TRANSITION-ELEMENT HEXAFLUORIDE SYSTEMS IN IONIC LATTICES - A SUHF MOLECULAR ORBITAL STUDY [J].
BROWN, RD ;
BURTON, PG .
THEORETICA CHIMICA ACTA, 1970, 18 (04) :309-+
[8]   HYPERFINE INTERACTIONS OF FLUORINE IONS IN VICINITY OF CR3+ AND CR+ IN KMGF3 .2. OVERLAP CONTRIBUTIONS TO SECOND NEAREST FLUORINE INTERACTION [J].
DAVIES, JJ ;
HORAI, K .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (05) :682-&
[9]   SUPERHYPERFINE INTERACTIONS AND COVALENCY CONTRIBUTION TO AXIAL ZERO-FIELD SPLITTING FOR (MNF6)4- COMPLEXES IN FLUORIDES [J].
EMERY, J ;
LEBLE, A ;
FAYET, JC .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1981, 42 (09) :789-798
[10]   CALCULATION OF THE T2G ANTIBONDING MOLECULAR-ORBITAL IN [VF6]4, COMPARISON WITH ELECTRON-SPIN-RESONANCE INVESTIGATIONS ON KZNF3-V2+ [J].
EMERY, J ;
FAYET, JC .
SOLID STATE COMMUNICATIONS, 1980, 33 (07) :801-803
1234