Interaction between alkaline earth cations and oxo ligands: a DFT study of the affinity of Mg2+ for carbonyl ligands

A comparative study of glycerin fatty acid ester and magnesium stearate on the dissolution of acetaminophen tablets using the analysis of available surface area

(2011) Takeaki Uchimoto et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Interaction between alkaline earth cations and oxo-ligands. DFT study of the affinity of the Ca2+ cation for carbonyl ligands

(2010) Leonardo Moreira da Costa et al.   JOURNAL OF MOLECULAR MODELING

Interactions between alkaline earth cations and oxo ligands. DFT study of the affinity of the Mg2+ cation for phosphoryl ligands

(2010) Leonardo Moreira da Costa et al.   JOURNAL OF MOLECULAR MODELING

Aminequinone-hydroxylquinoneimine tautomeric equilibrium revisited: molecular modeling study of the tautomeric equilibrium and substituent effects in 4-(4-R-phenylamino)naphthalene-1,2-diones

(2009) Thaís P. Fragoso et al.   JOURNAL OF MOLECULAR MODELING

Density Functional Theory studies on interactions of phosphoryl ligands with the Ca2+ cation: Affinity and associated parameters

(2009) Leonardo Moreira da Costa et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study

(2009) Zahra Aliakbar Tehrani et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DFT STUDY OF BOND ENERGIES AND ATTACHMENT SITES OF SAMPLE DIVALENT CATIONS (Mg2+, Ca2+, Zn2+) TO HISTIDINE IN THE GAS PHASE

(2009) ELHAM TAVASOLI et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Predicting Stability of DNA Duplexes in Solutions Containing Magnesium and Monovalent Cations

(2008) Richard Owczarzy et al.   BIOCHEMISTRY

Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?

(2008) Tomasz Puzyn et al.   Journal of Chemical Information and Modeling

Comprehensive Study on the Solvation of Mono- and Divalent Metal Cations: Li+, Na+, K+, Be2+, Mg2+and Ca2+†

(2008) J. Srinivasa Rao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Interaction of Ca2+ with uracil and its thio derivatives in the gas phase

(2008) Cristina Trujillo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The importance of the oxidative character of doubly charged metal cations in binding neutral bases. [Urea-M]2+ and [thiourea-M]2+ (M = Mg, Ca, Cu) complexes

(2008) Cristina Trujillo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Weak alkali and alkaline earth metal complexes of low molecular weight ligands in aqueous solution

(2007) Pier G. Daniele et al.   COORDINATION CHEMISTRY REVIEWS

Zn Coordination Chemistry:  Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital Theory

(2007) Elizabeth A. Amin et al.   Journal of Chemical Theory and Computation