ATOMISTIC CALCULATIONS OF KINK DEFECTS IN POLYETHYLENE CRYSTAL BY MEANS OF SEMIEMPIRICAL POTENTIALS

被引：34

作者：

SCHERR, H ^{[1
]}

HAGELE, PC ^{[1
]}

GROSSMANN, HP ^{[1
]}

机构：

[1] UNIV ULM, ABT EXPTL PHYS 2, D-79 ULM, FED REP GER

来源：

COLLOID AND POLYMER SCIENCE | 1974年 / 252卷 / 10期

关键词：

D O I：

10.1007/BF01554987

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：871 / 879

页数：9

共 26 条

[1] CONFORMATIONAL ENERGIES OF N-ALKANES AND RANDOM CONFIGURATION OF HIGHER HOMOLOGS INCLUDING POLYMETHYLENE [J].

ABE, A ;

JERNIGAN, RL ;

FLORY, PJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (04) :631-&

[2]

BLASENBREY S, 1970, BERICH BUNSEN GESELL, V74, P784

[3]

ELBRACHTER E, 1973, 735 U RECH ZENTR ULM

[4] FUNCTION MINIMIZATION BY CONJUGATE GRADIENTS [J].

FLETCHER, R ;

REEVES, CM .

COMPUTER JOURNAL, 1964, 7 (02) :149-&

[5] STRUCTURAL AND CONFORMATIONAL CALCULATION IN POLYMERS .1. INTRAMOLECULAR AND INTERMOLECULAR POTENTIALS FOR CALCULATION OF IDEAL AND DEFECTIVE STRUCTURES IN HYDROCARBONS [J].

HAGELE, PC ;

PECHHOLD, W .

KOLLOID-ZEITSCHRIFT AND ZEITSCHRIFT FUR POLYMERE, 1970, 241 (1-2) :977-&

[6]

HAGELE PC, 1972, THESIS ULM

[7]

HAGELE PC, 1971, IUPAC S BOSTON

[8] X-RAY CRYSTAL ANALYSIS OF SUBSTRATES OF ACONITASE .V. MAGNESIUM CITRATE DECAHYDRATE [MG(H2O)6][MGC6H5O7(H2O)]2.2H20 [J].

JOHNSON, CK .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :1004-&

[9] CONTRIBUTIONS TO CONFORMATIONAL ENERGY FROM INTERACTIONS BETWEEN NONBONDED ATOMS AND GROUPS .1. GENERAL FORMULATION [J].

MCCULLOU.RL ;

MCMAHON, PE .

TRANSACTIONS OF THE FARADAY SOCIETY, 1964, 60 (504P) :2089-&

[10] MOLECULAR MECHANICS OF POINT DEFECTS IN POLYETHYLENE [J].

MCMAHON, PE ;

MCCULLOUGH, RL ;

SCHLEGEL, AA .

JOURNAL OF APPLIED PHYSICS, 1967, 38 (11) :4123-+

← 1 2 3 →