Quantum Chemistry
3,656 papers 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 3157-3168 of 3,656
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
Calculation of transmission coefficients for some permeant molecules in human red cell and resting axolemma squid axon membranes.
Elkomoss SG, Pape A
Comparative study of copper(II)-curcumin complexes as superoxide dismutase mimics and free radical scavengers.
Barik A, Mishra B, Kunwar A, Kadam RM, Shen L, Dutta S, Padhye S, Satpati AK, Zhang HY, Indira Priyadarsini K
Comparison of the effects of mechanical and osmotic pressures on the collagen fiber architecture of intact and proteoglycan-depleted articular cartilage.
Saar G, Shinar H, Navon G
Creation of quaternary stereocenters in carbonyl allylation reactions.
Marek I, Sklute G
Crystal density predictions for nitramines based on quantum chemistry.
Qiu L, Xiao H, Gong X, Ju X, Zhu W
Development of highly sensitive fluorescent assays for fatty acid amide hydrolase.
Huang H, Nishi K, Tsai HJ, Hammock BD