화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Rationalizing the Effect of Halogenation on the Molecular Structure of Simple Cyclobutene Derivatives by Topological Real-Space Analysis of Their Electron Density
Lo Presti L, Ellern A, Destro R, Soave R, Lunelli B
Journal of Physical Chemistry A, 115(45), 12695, 2011
2 Revealing Electron Delocalization through the Source Function
Monza E, Gatti C, Lo Presti L, Ortoleva E
Journal of Physical Chemistry A, 115(45), 12864, 2011
3 Using the Source Function descriptor to dampen the multipole model bias in charge density studies from X-ray structure factors refinements
Lo Presti L, Gatti C
Chemical Physics Letters, 476(4-6), 308, 2009
4 Effect of Methoxy Substituents on the Structural and Electronic Properties of Fluorinated Cyclobutenes: A Study of Hexafluorocyclobutene and Its Vinyl Methoxy Derivatives by XRD and Periodic DFT Calculations
Lo Presti L, Ellern A, Destro R, Lunelli B
Journal of Physical Chemistry A, 113(13), 3186, 2009
5 On the interplay between CH...O and OH...O interactions in determining crystal packing and molecular conformation: An experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5)
Lo Presti L, Soave R, Destro R
Journal of Physical Chemistry B, 110(12), 6405, 2006
6 Looking for structural phase transitions in the colossal magnetoresistive thiospinel FeCr2S4 by a multi-temperature single-crystal X-ray diffraction study
Lo Presti L, Invernizzi D, Soave R, Destro R
Chemical Physics Letters, 416(1-3), 28, 2005