|
|
Volumn 85, Issue 4-5, 2001, Pages 539-545
|
|
Long-range effects in optimizing the geometry of stereoregular polymers - IV: Explicit determination of the helical angle
a
|
|
Author keywords
Crystal orbital; Geometry optimization; Hartree Fock; Helical polymer
|
|
Indexed keywords
BAND STRUCTURE;
COMPUTATIONAL GEOMETRY;
COMPUTER SIMULATION;
FUNCTIONS;
INTEGRAL EQUATIONS;
NUCLEAR ENERGY;
OPTIMIZATION;
ENERGY PER UNIT CELL;
HELICAL ANGLE;
LONG RANGE EFFECTS;
MULTIPLE TAYLOR EXPANSIONS;
NUCLEAR REPULSION ENERGY;
STEREOREGULAR POLYMERS;
ORGANIC POLYMERS;
|
|
EID: 0035890971
PISSN: 00207608
EISSN: None
Source Type: Journal
DOI: 10.1002/qua.1503 Document Type: Conference Paper |
|
Times cited : (6)
|
|
References (28)
|
