화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Accurate non-covalent interaction energies via an efficient MP2 scaling procedure
Fabiano E, Della Sala F, Grabowski I
Chemical Physics Letters, 635, 262, 2015
2 Identifying the illegal removal from diesel oil of certain chemical markers that designate excise duty
Orzel J, Daszykowski M, Grabowski I, Zaleszczyk G, Sznajder M
Fuel, 117, 224, 2014
3 Intermolecular potential energy surfaces of weakly bound tn dimers computed from ab initio density functional theory: The right answer for the right reason
Lotrich VF, Bartlett RJ, Grabowski I
Chemical Physics Letters, 405(1-3), 43, 2005
4 Connections between second-order Gorling-Levy and many-body perturbation approaches in density functional theory
Ivanov S, Hirata S, Grabowski I, Bartlett RJ
Journal of Chemical Physics, 118(2), 461, 2003
5 Ab initio density functional theory: OEP-MBPT(2). A new orbital-dependent correlation functional
Grabowski I, Hirata S, Ivanov S, Bartlett RJ
Journal of Chemical Physics, 116(11), 4415, 2002
6 Time-dependent density functional theory employing optimized effective potentials
Hirata S, Ivanov S, Grabowski I, Bartlett RJ
Journal of Chemical Physics, 116(15), 6468, 2002
7 Highly accurate treatment of electron correlation in polymers: coupled-cluster and many-body perturbation theories
Hirata S, Grabowski I, Tobita M, Bartlett RJ
Chemical Physics Letters, 345(5-6), 475, 2001
8 Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
Hirata S, Nooijen M, Grabowski I, Bartlett RJ
Journal of Chemical Physics, 114(9), 3919, 2001
9 Can optimized effective potentials be determined uniquely?
Hirata S, Ivanov S, Grabowski I, Bartlett RJ, Burke K, Talman JD
Journal of Chemical Physics, 115(4), 1635, 2001
10 Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis (vol 114, pg 3919, 2001)
Hirata S, Nooijen M, Grabowski I, Bartlett RJ
Journal of Chemical Physics, 115(8), 3967, 2001