ABINITIO STUDY OF EFFECT OF 3D ORBITALS OF PHOSPHORUS ON PROPERTIES OF PHOSPHATE GROUP

被引:60
作者
PERAHIA, D [1 ]
PULLMAN, A [1 ]
BERTHOD, H [1 ]
机构
[1] INST BIOL PHYSICO-CHIM,CNRS,LAB BIOCHIM THEORIQUE,13 RUE P&M CURIE,F-75005 PARIS,FRANCE
来源
THEORETICA CHIMICA ACTA | 1975年 / 40卷 / 01期
关键词
D O I
10.1007/BF00547912
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:47 / 60
页数:14
相关论文
共 29 条
[11]  
DAVID DJ, 1969, IBMOL IBM 370 VERSIO
[12]  
DEMUYNCK J, 1970, CHEM COMMUN, P873
[13]   AB-INITIO LOCALIZED ORBITAL CALCULATIONS OF BONDING IN PHOSPHINES AND PHOSPHINE COMPLEXES [J].
GUEST, MF ;
HILLIER, IH ;
SAUNDERS, VR .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (05) :867-&
[14]   SELF-CONSISTENT MOLECULAR ORBITAL METHODS .4. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ORBITALS - EXTENSION TO SECOND-ROW MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (05) :2769-+
[15]  
HEHRE WJ, QCPE236 PROGR
[16]   A THEORETICAL STUDY OF ELECTRONIC STRUCTURE OF PHOSPHINE OXIDE AND TRIMETHYLPHOSPHINE OXIDE AND DONOR-ACCEPTOR PROPERTIES OF PHOSPHINE AND TRIMETHYLPHOSPHINE [J].
HILLIER, IH ;
SAUNDERS, VR .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1970, (15) :2475-&
[17]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[18]   SCF LCAO MO CALCULATIONS FOR ISOELECTRONIC SERIES CLO-4, SO24-, AND PO34- [J].
JOHANSEN, H .
THEORETICA CHIMICA ACTA, 1974, 32 (03) :273-278
[19]   AB initio calculations for the 3d-exponent of phosphorus and sulphur [J].
Keeton, M. ;
Santry, D. P. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (01) :105-106
[20]   STEREOCHEMISTRY OF NUCLEIC ACIDS AND POLYNUCLEOTIDES .5. CONFORMATIONAL ENERGY OF A RIBOSE-PHOSPHATE UNIT [J].
LAKSHMIN.AV ;
SASISEKH.V .
BIOPOLYMERS, 1969, 8 (04) :489-&