A QUANTITATIVE-ANALYSIS OF THE IMPORTANCE OF PI-NON-BONDED INTERACTIONS IN DOUBLE ROTORS

被引：10

作者：

BERNARDI, F ^{[1
]}

BOTTONI, A ^{[1
]}

TONACHINI, G ^{[1
]}

机构：

[1] UNIV TURIN,IST CHIM ORGAN,I-10126 TURIN,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1980年 / 03期

关键词：

D O I：

10.1039/p29800000467

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：467 / 470

页数：4

共 17 条

[1] ABINITIO COMPUTATION OF FORCE CONSTANTS .6. APPLICATIONS OF FORCE RELAXATION METHOD FOR GEOMETRY OPTIMIZATION [J].

BERNARDI, F ;

SCHLEGEL, HB ;

TONACHINI, G .

JOURNAL OF MOLECULAR STRUCTURE, 1978, 48 (02) :243-248

[2] QUANTITATIVE NON-EMPIRICAL ESTIMATES OF EFFECTS OF ORBITAL INTERACTIONS - APPLICATIONS TO DIFLUOROETHYLENES [J].

BERNARDI, F ;

BOTTONI, A ;

EPIOTIS, ND ;

GUERRA, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (19) :6018-6022

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[4]

EPIOTIS ND, 1977, TOP CURR CHEM, V70, P1

[5]

GREMER D, 1974, J AM CHEM SOC, V96, P6900

[6]

HEHRE WJ, QCPE236 IND U

[7] CALCULATION OF ENERGY LEVELS FOR INTERNAL TORSION AND OVER-ALL ROTATION .3. [J].

HERSCHBACH, DR .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (01) :91-108

[8] MICROWAVE SPECTRUM OF PROPYLENE .2. POTENTIAL FUNCTION FOR INTERNAL ROTATION OF METHYL GROUP [J].

HIROTA, E .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (06) :1984-&

[9]

IVASH EV, 1964, J CHEM PHYS, V40, P2109

[10] MICROWAVE SPECTRUM, STRUCTURE, AND INTERNAL ROTATION OF DIMETHYL ETHER [J].

KASAI, PH ;

MYERS, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (04) :1096-1097

← 1 2 →