화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Convex-concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer
Janowski T, Pulay P, Karunarathna AAS, Sygula A, Saebo S
Chemical Physics Letters, 512(4-6), 155, 2011
2 Insertion of transition metal atoms and ions into the nanoscale dodecahedral silsesquioxane (T-12-POSS) cage: Structures, stabilities and electronic properties
Hossain D, Gwaltney SR, Pittman CU, Saebo S
Chemical Physics Letters, 467(4-6), 348, 2009
3 An efficient atomic orbital based second-order Moller-Plesset gradient program
Saebo S, Baker J, Wolinski K, Pulay P
Journal of Chemical Physics, 120(24), 11423, 2004
4 Endohedral and exohedral complexes of polyhedral double four-membered-ring (D4R) units with atomic and ionic impurities
Park SS, Xiao CY, Hagelberg F, Hossain D, Pittman CU, Saebo S
Journal of Physical Chemistry A, 108(51), 11260, 2004
5 Efficient calculation of canonical MP2 energies
Pulay P, Saebo S, Wolinski K
Chemical Physics Letters, 344(5-6), 543, 2001
6 A low-scaling method for second order Moller-Plesset calculations
Saebo S, Pulay P
Journal of Chemical Physics, 115(9), 3975, 2001