Prediction and mathematical correlation of the solubility of fluorene in alcohol solvents based upon the Abraham general solvation modelMONARREZ, Cassandra I; ACREE, William E; ABRAHAM, Michael H et al.Physics and chemistry of liquids Print. 2002, Vol 40, Num 5, pp 581-591, issn 0031-9104, 11 p.Article

Density-functional theory on the oxidation potentials and geometry parameters of thioxanthen derivatives : Theory and experimentRIAHI, Siavash; ABDOLMAJID BAYANDORI MOGHADDAM; HOOSHMAND, Akbar et al.Analytical letters. 2007, Vol 40, Num 13-15, pp 2574-2588, issn 0003-2719, 15 p.Article

A thermodynamic study on the binding of magnesium with human growth hormone : Consideration of the new extended coordination model solvation parametersREZAEI BEHBEHANI, G; SABOURY, A. A.Journal of thermal analysis and calorimetry. 2007, Vol 89, Num 3, pp 857-861, issn 1388-6150, 5 p.Article

A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvationWEI CAI; ZHENLI XU; BAUMKETNER, Andrij et al.Journal of computational physics (Print). 2008, Vol 227, Num 24, pp 10162-10177, issn 0021-9991, 16 p.Article

Solvation model for acetic acid in binary mixtures of cyclohexane-1,2-dichloroethaneABU-SHADY, A. I; AL-MUDHAF, H. F; HEGAZI, M. F et al.Fluid phase equilibria. 2004, Vol 224, Num 1, pp 1-5, issn 0378-3812, 5 p.Article

Analysis of a solute polarity parameter in reversed-phase liquid chromatography on a linear solvation relationship basisTORRES-LAPASIO, J. R; GARCIA-ALVAREZ-COQUE, M. C; ROSES, M et al.Analytica chimica acta. 2004, Vol 515, Num 1, pp 209-227, issn 0003-2670, 19 p.Conference Paper

Using a new solvation model for thermodynamic study on the interaction of nickel with human growth hormoneREZAEI BEHBEHANI, G; SABOURY, A. A.Thermochimica acta. 2007, Vol 452, Num 1, pp 76-79, issn 0040-6031, 4 p.Article

Preferential solvation of acetic acid in binary mixtures of carbon tetrachloride-cyclohexane and carbon tetrachloride -1,2 -dichloroethaneHEGAZI, M. F; AL-MUDHAF, H. F; ABU-SHADY, A. I et al.Journal of solution chemistry. 2007, Vol 36, Num 4, pp 467-478, issn 0095-9782, 12 p.Article

Three-component conformational equilibria of some flexible pyrrolidin-2-(thi)ones in solution by NMR data (δ_C, δ_H, and ⁿJ_HH) and their DFT predictions: a confrontation of different approachesNAZARSKI, Ryszard B; PASTERNAK, Beata; LESNIAK, Stanisław et al.Tetrahedron (Oxford. Print). 2011, Vol 67, Num 36, issn 0040-4020, 6767, 6901-6916 [17 p.]Article

Quality meshing of implicit solvation models of biomolecular structuresYONGJIE ZHANG; GUOLIANG XU; BAJAJ, Chandrajit et al.Computer aided geometric design. 2006, Vol 23, Num 6, pp 510-530, issn 0167-8396, 21 p.Article

Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systemsNANU, Diana E; MENNUCCI, Benedetta; DE LOOS, Theodoor W et al.Fluid phase equilibria. 2004, Vol 221, Num 1-2, pp 127-137, issn 0378-3812, 11 p.Article

Image charge approximations of reaction fields in solvents with arbitrary ionic strengthZHENLI XU; SHAOZHONG DENG; WEI CAI et al.Journal of computational physics (Print). 2009, Vol 228, Num 6, pp 2092-2099, issn 0021-9991, 8 p.Article

Thermodynamic Study on the Interaction of Copper Ion with Human Growth HormoneREZAEI BEHBEHANI, G; TAZIKEH, E; SABOURY, A. A et al.Journal of solution chemistry. 2010, Vol 39, Num 2, pp 153-164, issn 0095-9782, 12 p.Article

Thermodynamic Study of the Binding of Mercury Ion to Human Growth Hormone at Different TemperaturesTAZIKEH LEMESKI, E; REZAEI BEHBEHANI, G; SABOURY, A. A et al.Journal of solution chemistry. 2011, Vol 40, Num 4, pp 575-586, issn 0095-9782, 12 p.Article

Thermodynamic study on the interaction of cyanide ion and jack bean urease at different temperaturesREZAEI BEHBEHANI, G; SABOURY, A. A; MOHEBBIAN, M et al.Journal of thermal analysis and calorimetry. 2010, Vol 100, Num 3, pp 1079-1083, issn 1388-6150, 5 p.Article

Quantum chemical characterization of Abraham solvation parameters for gas―liquid chromatographic stationary phasesHOFFMANN, Eufrozina A; RAJKO, Robert; FEKETE, Zoltan A et al.Journal of chromatography. 2009, Vol 1216, Num 48, pp 8535-8544, issn 0021-9673, 10 p.Article

Electrochemical behavior of quercetin : Experimental and theoretical studiesZARE, Hamid R; NAMAZIAN, Mansoor; NASIRIZADEH, Navid et al.Journal of electroanalytical chemistry (1992). 2005, Vol 584, Num 2, pp 77-83, issn 1572-6657, 7 p.Article

Prediction of one-electron electrode potentials of some quinones in dimethylsulfoxideNAMAZIAN, Mansoor; NOROUZI, Parviz.Journal of electroanalytical chemistry (1992). 2004, Vol 573, Num 1, pp 49-53, issn 1572-6657, 5 p.Article

Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation ModelsKAMERLIN, Shina C. L; HARANCZYK, Maciej; WARSHEL, Arieh et al.ChemPhysChem (Print). 2009, Vol 10, Num 7, pp 1125-1134, issn 1439-4235, 10 p.Article

Calculation of Molecular Lipophilicity : State-of-the-Art and Comparison of Log P Methods on More Than 96,000 CompoundsMANNHOLD, Raimund; PODA, Gennadiy I; OSTERMANN, Claude et al.Journal of pharmaceutical sciences. 2009, Vol 98, Num 3, pp 861-893, issn 0022-3549, 33 p.Article

Fast Analytical Methods for Macroscopic Electrostatic Models in Blomolecular SimulationsZHENLI XU; WEI CAI.SIAM review (Print). 2011, Vol 53, Num 4, pp 683-720, issn 0036-1445, 38 p.Article