avogadro.openmolecules.co.kr

관리자 | 글쓰기

avogadro.openmolecules.co.kr » GAMESS in Avogadro/episode One

Test 19 - icosahedral

짱이* | 2009. 9. 17. 03:02











effect A.
Li(outside) - B - B Line
Length Li-B : 2.44 / B-B : 1.93
(B-B : average 1.98)





effect B.
Li(inside) - B Line
Length Li-B : 1.85~6
(Li-B : average 1.88)

No.2, No.8, No.9
No.4, No.5, No.11



effect C.
B-B Line
Length B-B : 1.96
(B-B : average 1.98~2.00)

No. 5 - No. 1
No. 4 - No. 3
No. 11 - No. 12




















'GAMESS in Avogadro > episode One' 카테고리의 다른 글

Test 19 - icosahedral  (0) 2009.09.17
Test 18 - C3 0.000  (0) 2009.09.17
Test 17 - Rvednbrg, Pop  (0) 2009.09.17
Test 16 - compleat  (0) 2009.09.10
Test 15 - alkali  (0) 2009.09.10
Test 14 - lithium  (0) 2009.09.10


(go to top)