Quantum Chemistry
83 papers for year 2007 from PubMed
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 1-12 of 83
2-phenoxathiinyl-5-phenyloxazole and 5-phenoxathiinyl-2-phenyloxazole derivatives: experimental and theoretical study of emission properties.
Ionescu S, Popovici D, Balaban AT, Hillebrand M
A comparative study of quantum yield and electrical energy per order (E(Eo)) for advanced oxidative decolourisation of reactive azo dyes by UV light.
Muruganandham M, Selvam K, Swaminathan M
A comprehensive electronic structure description of a biscyanotetraazacobalt(III) macrocyclic complex.
Ishiruji FH, Nunes FS
A highly sensitive system for urea detection by using CdSe/ZnS core-shell quantum dots.
Huang CP, Li YK, Chen TM
A hydrogen peroxide biosensor based on the direct electrochemistry of hemoglobin modified with quantum dots.
Xu Y, Liang J, Hu C, Wang F, Hu S, He Z
A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states.
Davis CH, Deerfield D 2nd, Wymore T, Stafford DW, Pedersen LG
A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states.
Davis CH, Deerfield D 2nd, Wymore T, Stafford DW, Pedersen LG
A theoretical study of phenolic compounds with antioxidant properties.
Reis M, Lobato B, Lameira J, Santos AS, Alves CN
Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
Upadhyay DM, Rai AK, Rai DK, Singh AN, Kumar A
Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.
Rungrotmongkol T, Mulholland AJ, Hannongbua S
Anharmonic analysis of the vibrational spectrum of ketene by density functional theory using second-order perturbative approach.
Gupta VP
Binding and photochemistry of enantiomeric 2-(3-benzoylphenyl)propionic acid (ketoprofen) in the human serum albumin environment.
Monti S, Manet I, Manoli F, Sortino S