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Results 1 to 25 of 97905

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A physiochemical theory on the applicability of soft mathematical models—experimentally interpretedMUNCK, L; JESPERSEN, B. Møller; RINNAN, A et al.Journal of chemometrics. 2010, Vol 24, Num 7-8, pp 481-495, issn 0886-9383, 15 p.Conference Paper

Regularized sliced inverse regression for determination of the percentage of crystallinity in FCC catalystsHERNANDEZ, Noslen; TALAVERA, Isneri; PORRO, Diana et al.Journal of chemometrics. 2010, Vol 24, Num 7-8, pp 448-453, issn 0886-9383, 6 p.Conference Paper

Oxidative Addition of the Cα-Cβ Bond in β-O-4 Linkage of Lignin to Transition Metals Using a Relativistic Pseudopotential-Based ccCA-ONIOM MethodOYEDEPO, Gbenga A; WILSON, Angela K.ChemPhysChem (Print). 2011, Vol 12, Num 17, pp 3320-3330, issn 1439-4235, 11 p.Article

Pure component spectral recovery and constrained matrix factorizations: concepts and applicationsNEYMEYR, Klaus; SAWALL, Mathias; HESS, Dieter et al.Journal of chemometrics. 2010, Vol 24, Num 1-2, pp 67-74, issn 0886-9383, 8 p.Article

Virtual screening prediction of new potential organocatalysts for direct aldol reactionsXIANG HUI LIU; HONG YAN SONG; XIAO HUA MA et al.Journal of molecular catalysis. A, Chemical. 2010, Vol 319, Num 1-2, pp 114-118, issn 1381-1169, 5 p.Article

Predicting % of Crystallinity in FCC Catalysts by FT-MIR and PLSDAGO, Angel; TALAVERA, Isneri; FERNANDEZ, Reinaldo et al.Journal of chemometrics. 2008, Vol 22, Num 11-12, pp 661-665, issn 0886-9383, 5 p.Conference Paper

Application of the Compensated Arrhenius Formalism To Explain the Dielectric Constant Dependence of Rates for Menschutkin ReactionsPETROWSKY, Matt; GLATZHOFER, Daniel T; FRECH, Roger et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 46, pp 14432-14437, issn 1520-6106, 6 p.Article

Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential BarrierBREDTMANN, Timm; KONO, Hirohiko; MANZ, Jörn et al.ChemPhysChem (Print). 2013, Vol 14, Num 7, pp 1397-1404, issn 1439-4235, 8 p.Article

Enzyme kinetics with a twistBALEIZAO, Carlos; BERBERAN-SANTOS, Mário N.Journal of mathematical chemistry. 2011, Vol 49, Num 9, pp 1949-1960, issn 0259-9791, 12 p.Article

Reachability, persistence, and constructive chemical reaction networks (part I): reachability approach to the persistence of chemical reaction networksGNACADJA, Gilles.Journal of mathematical chemistry. 2011, Vol 49, Num 10, pp 2117-2136, issn 0259-9791, 20 p.Article

A combinatorial/geometric analysis of convex cyclofuseneKARIMI, Sasan; DELGADO, Anthony; LEWINTER, Marty et al.Journal of mathematical chemistry. 2010, Vol 47, Num 1, pp 167-173, issn 0259-9791, 7 p.Article

A general model for non-autocatalytic zymogen activation in the presence of two different and mutually exclusive inhibitors. II. Relative weight of activation and inhibition processesMASIA-PEREZ, J; ESCRIBANO, J; VALERO, E et al.Journal of mathematical chemistry. 2010, Vol 48, Num 3, pp 635-652, issn 0259-9791, 18 p.Article

Application of Kihara parameters in conventional molecular force fieldsLIM, Teik-Cheng.Journal of mathematical chemistry. 2010, Vol 48, Num 2, pp 363-369, issn 0259-9791, 7 p.Article

Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin α-radial function and Guseinov's two-center charge density expansion formulaeMAMEDOV, B. A; COPUROGLU, E.Journal of mathematical chemistry. 2010, Vol 47, Num 1, pp 345-353, issn 0259-9791, 9 p.Article

On electronegativity and chemical hardness relationships with aromaticityTARKO, Laszlo; PUTZ, Mihai V.Journal of mathematical chemistry. 2010, Vol 47, Num 1, pp 487-495, issn 0259-9791, 9 p.Article

On the barometric formula inside the EarthBERBERAN-SANTOS, Mario N; BODUNOV, Evgeny N; POGLIANI, Lionello et al.Journal of mathematical chemistry. 2010, Vol 47, Num 3, pp 990-1004, issn 0259-9791, 15 p.Article

Protein folding invariantsNICHOLSON, Victor A.Journal of mathematical chemistry. 2010, Vol 47, Num 2, pp 626-635, issn 0259-9791, 10 p.Article

The connection between the second law of thermodynamics and the principle of microscopic reversibilityLENTE, Gábor.Journal of mathematical chemistry. 2010, Vol 47, Num 3, pp 1106-1111, issn 0259-9791, 6 p.Article

Additive InChI-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solventsTOROPOV, Andrey A; TOROPOVA, Alla P; BENFENATI, Emilio et al.Journal of mathematical chemistry. 2009, Vol 46, Num 4, pp 1232-1251, issn 0259-9791, 20 p.Article

Approximation of the Dymond-Rigby-Smith potential function using the Lennard-Jones formLIM, Teik-Cheng.Journal of mathematical chemistry. 2009, Vol 46, Num 2, pp 569-575, issn 0259-9791, 7 p.Article

Coefficient interrelatedness among polynomial potential functions of diatomic moleculesLIM, Teik-Cheng.Journal of mathematical chemistry. 2009, Vol 45, Num 4, pp 953-961, issn 0259-9791, 9 p.Article

Mathematical analysis on nonautonomous droop model for phytoplankton growth in a chemostat: boundedness, permanence and extinctionREHIM, Mehbuba; ZHIDONG TENG.Journal of mathematical chemistry. 2009, Vol 46, Num 2, pp 459-483, issn 0259-9791, 25 p.Article

On extended connectivity indicesBO ZHOU; TRINAJSTIC, Nenad.Journal of mathematical chemistry. 2009, Vol 46, Num 4, pp 1172-1180, issn 0259-9791, 9 p.Article

The reaction force. A scalar property to characterize reaction mechanismsMARTINEZ, Jorge; TORO-LABBE, Alejandro.Journal of mathematical chemistry. 2009, Vol 45, Num 4, pp 911-927, issn 0259-9791, 17 p.Article

Lattices and TrajectoriesJournal of mathematical chemistry. 2009, Vol 45, Num 1, issn 0259-9791, 258 p.Serial Issue

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