Quantum Chemistry
112 papers for year 2012
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 25-36 of 112
Density functional theory study on the interaction between keto-9H guanine and aspartic acid.
Harris PT, Hill GA
2012
PubMed
Journal of molecular modeling
Design of magnetic coordination complexes for quantum computing.
Aromí G, Aguilà D, Gamez P, Luis F, Roubeau O.
2012
Europe PMC
Chem Soc Rev
DFT energy optimization of a large carbohydrate: cyclomaltohexaicosaose (CA-26).
Schnupf U, Momany FA
2012
PubMed
The journal of physical chemistry. B
DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials.
Georgieva I, Danchova N, Gutzov S, Trendafilova N
2012
PubMed
Journal of molecular modeling
DFT studies of COOH tip-functionalized zigzag and armchair single wall carbon nanotubes.
Chełmecka E, Pasterny K, Kupka T, Stobiński L
2012
PubMed
Journal of molecular modeling
Diffuse Optical Monitoring of the Neoadjuvant Breast Cancer Therapy.
Choe R, Durduran T
2012
PubMed
IEEE journal of selected topics in quantum electronics : a publication of the IEEE Lasers and Electro-optics Society
DNA extract characterization process for microbial detection methods development and validation.
Olson ND, Morrow JB.
2012
Europe PMC
BMC Res Notes
Dynamic water networks in cytochrome cbb3 oxidase.
Sharma V, Wikström M, Kaila VR
2012
PubMed
Biochimica et biophysica acta
Effect of oxygen concentration on the growth of Nannochloropsis sp. at low light intensity.
Raso S, van Genugten B, Vermuë M, Wijffels RH
2012
PubMed
Journal of applied phycology
Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations.
Buczek A, Kupka T, Sauer SP, Broda MA
2012
PubMed
Journal of molecular modeling
Experimental study of quantum simulation for quantum chemistry with a nuclear magnetic resonance simulator.
Lu D, Xu N, Xu B, Li Z, Chen H, Peng X, Xu R, Du J.
2012
Europe PMC
Philos Trans A Math Phys Eng Sci
First-principles study of energetic complexes (II): (5-cyanotetrazolato-N2) pentaammine cobalt (III) perchlorate (CP) and Ni, Fe and Zn analogues.
Shang J, Zhang JG, Zhang TL, Huang HS, Zhang SW, Zhou ZN
2012
PubMed
Journal of molecular modeling