화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 A new efficient algorithm to determine three-phase equilibrium conditions in the presence of aqueous phase: Phase stability and computational cost
Nazari M, Asadi MB, Zendehboudi S
Fluid Phase Equilibria, 486, 139, 2019
2 Formulating large-scale quantity-quality bilinear data reconciliation problems
Kelly JD
Computers & Chemical Engineering, 28(3), 357, 2004
3 Refinements on solvation continuum models: Hydrogen-bond effects on the OH stretch in liquid water and methanol
Cappelli C, Mennucci B, da Silva CO, Tomasi J
Journal of Chemical Physics, 112(12), 5382, 2000
4 Reaction field treatment of charge penetration
Chipman DM
Journal of Chemical Physics, 112(13), 5558, 2000
5 Characterization of fumed alumina/silica/titania in the gas phase and in aqueous suspension
Gun'ko VM, Zarko VI, Turov VV, Leboda R, Chibowski E, Pakhlov EM, Goncharuk EV, Marciniak M, Voronin EF, Chuiko AA
Journal of Colloid and Interface Science, 220(2), 302, 1999
6 A smooth solvation potential based on the conductor-like screening model
York DM, Karplus M
Journal of Physical Chemistry A, 103(50), 11060, 1999
7 The Hartree-Fock calculation of the magnetic properties of molecular solutes
Cammi R
Journal of Chemical Physics, 109(8), 3185, 1998
8 A General Methodology for Quantum Modeling of Free-Energy Profile of Reactions in Solution - An Application to the Menshutkin Nh3+ch3Cl Reaction in Water
Truong TN, Truong TT, Stefanovich EV
Journal of Chemical Physics, 107(6), 1881, 1997
9 Analytical Energy Gradient for the Reference Interaction Site Model Multiconfigurational Self-Consistent-Field Method - Application to 1,2-Difluoroethylene in Aqueous-Solution
Sato H, Hirata F, Kato S
Journal of Chemical Physics, 105(4), 1546, 1996
10 An Ab-Initio Study of Solvent Shifts in Vibrational-Spectra
Stefanovich EV, Truong TN
Journal of Chemical Physics, 105(8), 2961, 1996