화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Solvation of Nitrophenol Isomers: Consequences for Solute Electronic Structure and Alkane/Water Partitioning
Steel WH, Foresman JB, Burden DK, Lau YY, Walker RA
Journal of Physical Chemistry B, 113(3), 759, 2009
2 Assessment of time-dependent density-functional theory for the calculation of critical features in the absorption spectra of a series of aromatic donor-acceptor systems
Jamorski C, Foresman JB, Thilgen C, Luthi HP
Journal of Chemical Physics, 116(20), 8761, 2002
3 Solvent Effects .5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation Ab-Initio Reaction Field Calculations
Foresman JB, Keith TA, Wiberg KB, Snoonian J, Frisch MJ
Journal of Physical Chemistry, 100(40), 16098, 1996
4 Butadiene .3. Charge-Distribution in Electronically Excited-States
Wiberg KB, Hadad CM, Ellison GB, Foresman JB
Journal of Physical Chemistry, 97(51), 13586, 1993