화학공학소재연구정보센터
검색결과 : 30건
No. Article
1 Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation: A Theoretical Account
Maksic ZB, Kovacevic B, Vianello R
Chemical Reviews, 112(10), 5240, 2012
2 Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: Car-Parrinello Molecular Dynamics and Vibrational Spectroscopy Study
Stare J, Mavri J, Grdadolnik J, Zidar J, Maksic ZB, Vianello R
Journal of Physical Chemistry B, 115(19), 5999, 2011
3 Comment on "Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types"
Maksic ZB
Journal of Physical Chemistry A, 113(4), 788, 2009
4 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
Eckert-Maksic M, Lischka H, Maksic ZB, Vazdar M
Journal of Physical Chemistry A, 113(29), 8351, 2009
5 Superbasicity of a Bis-guanidino Compound with a Flexible Linker: A Theoretical and Experimental Study
Coles MP, Aragon-Saez PJ, Oakley SH, Hitchcock PB, Davidson MG, Maksic ZB, Vianello R, Leito I, Kaljurand I, Apperley DC
Journal of the American Chemical Society, 131(46), 16858, 2009
6 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
7 Comment on the paper "on the limits of highest-occupied molecular orbital driven reactions: The frontier effective-for-reaction molecular orbital concept"
Maksic ZB, Vianello R
Journal of Physical Chemistry A, 110(36), 10651, 2006
8 Hydride affinities of some substituted alkynes: Prediction by DFT calculations and rationalization by triadic formula
Vianello R, Peran N, Maksic ZB
Journal of Physical Chemistry A, 110(47), 12870, 2006
9 Hydride affinities of borane derivatives: Novel approach in determining the origin of lewis acidity based on triadic formula
Vianello R, Maksic ZB
Inorganic Chemistry, 44(4), 1095, 2005
10 Periodic trends in bond dissociation energies. A theoretical study
Mo O, Yanez M, Eckert-Maksic M, Maksic ZB, Alkorta I, Elguero J
Journal of Physical Chemistry A, 109(19), 4359, 2005