화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Computational Study of Glycerol Binding within the Active Site of Coenzyme B-12-Dependent Diol Dehydratase
Bilic L, Baric D, Banhatti RD, Smith DM, Kovacevic B
Journal of Physical Chemistry B, 123(29), 6178, 2019
2 Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B-12
Kovacevic B, Baric D, Babic D, Bilic L, Hanzevacki M, Sandala GM, Radom L, Smith DM
Journal of the American Chemical Society, 140(27), 8487, 2018
3 Clar's sextet rule is a consequence of the sigma-electron framework
Maksic ZB, Baric D, Muller T
Journal of Physical Chemistry A, 110(33), 10135, 2006
4 A novel approach in analyzing aromaticity by homo- and isostructural reactions: An ab initio study of fluorobenzenes
Baric D, Kovacevic B, Maksic ZB, Muller T
Journal of Physical Chemistry A, 109(46), 10594, 2005
5 Dominant role of the pi framework in cyclobutadiene
Kovacevic B, Baric D, Maksic ZB, Muller T
Journal of Physical Chemistry A, 108(42), 9126, 2004
6 Atomic additivity of the correlation energy in molecules by the DFT-B3LYP scheme
Baric D, Maksic ZB
Journal of Physical Chemistry A, 107(51), 11577, 2003
7 Additivity of the correlation energy in some 3D organic molecules
Baric D, Maksic ZB
Journal of Physical Chemistry A, 106(8), 1612, 2002
8 On the correlation energy features in planar heteroatomic molecular systems
Smith DM, Baric D, Maksic ZB
Journal of Chemical Physics, 115(8), 3474, 2001
9 On the correlation energy of pi-electrons in planar hydrocarbons
Maksic ZB, Baric D, Petanjek I
Journal of Physical Chemistry A, 104(46), 10873, 2000