화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 The magnetic circular dichroism (MCD) and absorption studies of 1,8-naphthalimide. The theoretical analysis in terms of density functional (DF) and coupled cluster (CC) theories
Seidler T, Andrzejak M, Pawlikowski MT
Chemical Physics Letters, 555, 87, 2013
2 The circular dichroism (CD) studies of bis-1,8-naphthalimide. The theoretical analysis in terms of density functional and vibronic dimer theories
Seidler T, Andrzejak M, Pawlikowski MT
Chemical Physics Letters, 496(1-3), 74, 2010
3 The vibronic structures of absorption and magnetic circular dichroism (MCD) in the low energy 1(1)B(2u) and 1(1)B(3u) states of 1,4,5,8-naphthalenetetracarboxy dianhydride. The analysis in terms of DFT and CASSCF methods
Zazakowny P, Pawlikowski MT, Sterzel M
Chemical Physics Letters, 472(1-3), 55, 2009
4 Vibronic Effects in the 1(1)Bu(1(1)B(2)) Excited Singlet States of Oligothiophenes. Fluorescence Study of the 1(1)A(g)(1(1)A(1)) <-1(1)B(u)(1(1)B(2)) Transition in Terms of DFT, TDDFT, and CASSCF Methods
Andrzejak M, Pawlikowski MT
Journal of Physical Chemistry A, 112(51), 13737, 2008
5 The vibronic effects in the 1(1)B(2) and 2(1)A(1) states of 1,3-dicyanomethylene croconate dianion: The resonance Raman study in terms of CASSCF and DFT methods
Zazakowny P, Makowski M, Zomerska K, Pawlikowski MT
Chemical Physics Letters, 448(1-3), 49, 2007
6 The vibronic effects in the excited 1(1)E(u) state of (CO)(4) dianion in terms of time dependent (TD) density functional theory: The resonance and pre-resonance Raman studies
Zazakowny P, Makowski M, Pawlikowski MT
Chemical Physics Letters, 418(4-6), 555, 2006
7 The Franck-Condon and Dushinsky effects in the lowest energy 1(2)B(3u) doublet of the tetracyanoquinodimethane (TCNQ) monoanion: the absorption and resonance Raman studies in terms of the density functional theory (DFT) and complete active space self-consistent field (CASSCF) methods
Makowski M, Pawlikowski MT
Chemical Physics Letters, 388(4-6), 367, 2004
8 The Franck-Condon effect in 1(1)B(1u) state of 3,4,9,10-perylenetetracarboxylic-dianhydride
Makowski M, Pawlikowski MT
Chemical Physics Letters, 393(4-6), 305, 2004
9 The electronic and vibrational structures of the vis-UV transitions in the 1,3-dicyanomethylene croconate anion in terms of CASSCF and DFT theory. The Franck-Condon analysis of 1(2)B(1)-> 1(2)A(2) and 1(2)B(1)-> 2(2)A(2) transitions
Makowski M, Pawlikowski MT
Chemical Physics Letters, 376(5-6), 631, 2003
10 Absorption, resonance, the preresonance Raman study of the 1,3-dicyanomethylene croconate dianion using complete active space self-consistent field and density functional theory methods
Makowski M, Pawlikowski MT
Journal of Chemical Physics, 119(24), 12795, 2003