THEORETICAL SIMULATIONS OF THE VALENCE XPS SPECTRA OF 3 CONFORMATIONS OF POLYOXYMETHYLENE

被引：35

作者：

BOULANGER, P ^{[1
]}

LAZZARONI, R ^{[1
]}

VERBIST, J ^{[1
]}

DELHALLE, J ^{[1
]}

机构：

[1] FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL,B-5000 NAMUR,BELGIUM

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 129卷 / 03期

关键词：

D O I：

10.1016/0009-2614(86)80210-X

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：275 / 278

页数：4

共 13 条

[1]

BINKLEY JS, GAUSSIAN 82

[2] COMPARATIVE ABINITIO ANALYSIS OF VALENCE XPS DATA FOR ACENES AND PARAPHENYL OLIGOMERS - APPLICATION OF THE MOLECULAR-ORBITAL INTENSITY MODEL [J].

BOUTIQUE, JP ;

RIGA, J ;

VERBIST, JJ ;

DELHALLE, J ;

FRIPIAT, JG .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1984, 33 (03) :243-262

[3]

CARAZZOLO G, 1963, J POLYM SCI A, V1, P865

[4] CONFORMATIONAL ORIGIN OF PEAK STRUCTURE ARISING IN THE XPS SPECTRUM OF AN ISOTACTIC POLYPROPYLENE [J].

DELHALLE, J ;

MONTIGNY, R ;

DEMANET, C ;

ANDRE, JM .

THEORETICA CHIMICA ACTA, 1979, 50 (04) :343-349

[5] ELECTRONIC-STRUCTURE OF LINEAR FLUOROPOLYMERS - THEORY AND ESCA MEASUREMENTS REVISITED [J].

DELHALLE, J ;

DELHALLE, S ;

ANDRE, JM ;

PIREAUX, JJ ;

RIGA, J ;

CAUDANO, R ;

VERBIST, JJ .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1977, 12 (03) :293-303

[6]

DELHALLE S, 1975, B SOC CHIM BELGES, V84, P107

[7] ESCA STUDIES OF MOLECULAR CORE AND VALENCE LEVELS IN GAS-PHASE [J].

GELIUS, U ;

SIEGBAHN, K .

FARADAY DISCUSSIONS, 1972, 54 :257-268

[8] 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-+

[9] GENERATION OF ORTHORHOMBIC POLYOXYMETHYLENE IN A CATIONIC POLYMERIZATION SYSTEM OF TRIOXANE [J].

IGUCHI, M .

POLYMER, 1983, 24 (07) :915-920

[10]

JORGENSEN FS, 1981, J CHEM RES, V5, P212

← 1 2 →