WAVE-MECHANICAL STUDIES OF LINEAR POLYMERS - CORRELATIONS BETWEEN CHARGE DISTRIBUTIONS AND ESCA CHEMICAL-SHIFTS IN POLYFLUOROETHYLENES

被引：25

作者：

ANDRE, JM

DELHALLE, J

机构：

[1] CTR EUROPEEN CALCULATOM & MOLEC CAMPUS, ORSAY 91, FRANCE

[2] UNIV NAMUR FAC, LAB CHIM THEORIQUE, NAMUR 5000, BELGIUM

来源：

CHEMICAL PHYSICS LETTERS | 1972年 / 17卷 / 01期

关键词：

D O I：

10.1016/0009-2614(72)80347-6

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：145 / 149

页数：5

共 26 条

[1] All-electrons band structure of polyethylene in the nearest cell approximation [J].

Andre, J. -M ;

Leroy, G. .

CHEMICAL PHYSICS LETTERS, 1970, 5 (02) :71-74

[2]

Andre J. M., 1970, Computer Physics Communications, V1, P391, DOI 10.1016/0010-4655(70)90013-5

[3]

Andre JM, 1971, CHEM PHYS LETT, V8, P195, DOI 10.1016/0009-2614(71)80012-X

[4] SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J].

ANDRE, JM .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1536-&

[5]

ANDRE JM, 1970, ANN SOC, V84, P133

[6] NEED FOR COMPUTING DERIVATIVES OF ENERGY-BANDS IN BAND-STRUCTURE CALCULATIONS [J].

ANDRE, JM ;

DELHALLE, J ;

LEROY, G ;

KAPSOMENOS, G .

CHEMICAL PHYSICS LETTERS, 1972, 14 (04) :485-+

[7] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J].

BEVERIDGE, DL ;

LADIK, J .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :4744-+

[8] CHARGE DISTRIBUTIONS IN AROMATIC-HYDROCARBONS AND THEIR PERFLUORO ANALOGS AS DETERMINED BY ESCA [J].

CLARK, DT ;

ADAMS, DB ;

KILCAST, D .

CHEMISTRY AND PHYSICS OF LIPIDS, 1972, 13 (05) :439-&

[9] EFFECT OF FLUORINE SUBSTITUTION ON MOLECULAR CORE BINDING ENERGIES OF SOME BINUCLEAR AROMATIC HYDROCARBONS [J].

CLARK, DT ;

KILCAST, D .

JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1971, (11) :2243-&

[10] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION [J].

CLEMENTI, E ;

CLEMENTI, H ;

DAVIS, DR .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4725-&

← 1 2 3 →