화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Absolute ion hydration enthalpies from absolute hardness and some VBT relationships
Kaya S, de Farias RF
Chemical Physics Letters, 691, 169, 2018
2 Derivatives of molecular valence as a measure of aromaticity
Balawender R, Komorowski L, De Proft F, Geerlings P
Journal of Physical Chemistry A, 102(48), 9912, 1998
3 Ab-Initio Molecular-Orbital Theory on Intramolecular Charge Polarization - Effect of Hydrogen Abstraction on the Charge Sensitivity of Aromatic and Nonaromatic Species
Morita A, Kato S
Journal of the American Chemical Society, 119(17), 4021, 1997
4 Electron-Donating and Electron-Accepting Strength of Enoxysilanes and Allylsilanes in the Reaction with Aldehydes
Omoto K, Fujimoto H
Journal of the American Chemical Society, 119(23), 5366, 1997
5 Theoretical-Study of the Reaction of Allylsilanes with Carbonyl-Compounds
Omoto K, Sawada Y, Fujimoto H
Journal of the American Chemical Society, 118(7), 1750, 1996
6 Fukui Function from a Gradient Expansion Formula, and Estimate of Hardness and Covalent Radius for an Atom
Chattaraj PK, Cedillo A, Parr RG
Journal of Chemical Physics, 103(24), 10621, 1995
7 Hardness Profile and Activation Hardness for Rotational Isomerization Processes - Application to Nitrous-Acid and Hydrogen Persulfide
Cardenasjiron GI, Lahsen J, Torolabbe A
Journal of Physical Chemistry, 99(15), 5325, 1995
8 Hardness Profile and Activation Hardness for Rotational Isomerization Processes .2. The Maximum Hardness Principle
Cardenasjiron GI, Torolabbe A
Journal of Physical Chemistry, 99(34), 12730, 1995
9 The Fukui Function - A Key Concept Linking Frontier Molecular-Orbital Theory and the Hard-Soft-Acid-Base Principle
Li Y, Evans JN
Journal of the American Chemical Society, 117(29), 7756, 1995
10 Hardness and Electric-Dipole Polarizability - Atoms and Clusters
Hati S, Datta D
Journal of Physical Chemistry, 98(41), 10451, 1994