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

页码：47 / 60

页数：14

共 29 条

[1] ENERGY AND ELECTRON ORBITALS IN ADENOSINE PHOSPHATES [J].

ALVING, RE ;

LAKI, K .

JOURNAL OF THEORETICAL BIOLOGY, 1972, 34 (02) :199-&

[2]

ARMBRUSTER AM, 1974, INT J QUANTUM CHEM S, V8, P169

[3] MOLECULAR ELECTROSTATIC POTENTIAL OF DIMETHYL-PHOSPHATE ANION - AB-INITIO STUDY [J].

BERTHOD, H ;

PULLMAN, A .

CHEMICAL PHYSICS LETTERS, 1975, 32 (02) :233-235

[4] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].

BONACCOR.R ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&

[5]

BONACCORSI R, COMMUNICATION

[6] ELECTRONIC STRUCTURES FOR ENERGY-RICH PHOSPHATES [J].

BOYD, DB ;

LIPSCOMB, WN .

JOURNAL OF THEORETICAL BIOLOGY, 1969, 25 (03) :403-&

[7] MOLECULAR SCF CALCULATIONS ON PH3 PO PO- AND P2 [J].

BOYD, DB ;

LIPSCOMB, WN .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :910-&

[8] TOPOGRAPHY OF ELECTRON DENSITY IN PYROPHOSPHATE BONDS [J].

BOYD, DB .

THEORETICA CHIMICA ACTA, 1970, 18 (03) :184-&

[9]

Clementi E., 1966, J COMPUT PHYS, V1, P223

[10]

CLEMENTI E, 1966, IBM7094 TECHN REP

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