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 2785-2796 of 3,656
Studies on molecular structure and tautomerism of a vitamin B6 analog with density functional theory.
Sahoo SK, Sharma D, Bera RK
2012
PubMed
Journal of molecular modeling
Substituent effects on geometric and electronic properties of iron tetraphenylporphyrin: a DFT investigation.
Wei L, She Y, Yu Y, Yao X, Zhang S
2012
PubMed
Journal of molecular modeling
Substituent effects on the structure-property relationship of unsymmetrical methyloxy and methoxycarbonyl phthalocyanines: DFT and TDDFT theoretical studies.
Zhang L, Qi D, Zhao L, Bian Y, Li W
2012
PubMed
Journal of molecular graphics & modelling
Synthesis of manganese oxide nanocrystal by ultrasonic bath: effect of external magnetic field.
Bastami TR, Entezari MH
2012
PubMed
Ultrasonics sonochemistry
Synthesis, X-ray crystal structure and optical properties of novel 2-aryl-3-ethoxycarbonyl-4-phenylpyrido[1,2-a]benzimidazoles.
Chen X, Yang H, Ge Y, Feng L, Jia J, Wang J
2012
PubMed
Luminescence : the journal of biological and chemical luminescence
Temperature influence on silver nanoparticles inhibitory effect on photosystem II photochemistry in two green algae, Chlorella vulgaris and Dunaliella tertiolecta.
Oukarroum A, Polchtchikov S, Perreault F, Popovic R
2012
PubMed
Environmental science and pollution research international
The H2 dissociation on the BN, AlN, BP and AlP nanotubes: a comparative study.
Beheshtian J, Soleymanabadi H, Kamfiroozi M, Ahmadi A
2012
PubMed
Journal of molecular modeling
The influence of light quality on C4 photosynthesis under steady-state conditions in Zea mays and Miscanthus×giganteus: changes in rates of photosynthesis but not the efficiency of the CO2 concentrating mechanism.
Sun W, Ubierna N, Ma JY, Cousins AB
2012
PubMed
Plant, cell & environment
The interaction of the ubiquitin 50-59 fragment with copper(II) ions.
Czapor-Irzabek H, Cebrat M, Czyżnikowska Ż, Brasuń J
2012
PubMed
Journal of inorganic biochemistry
The interactions of glutathione-capped CdTe quantum dots with trypsin.
Yang B, Liu R, Hao X, Wu Y, Du J
2012
PubMed
Biological trace element research
The structure, properties, and nature of unconventional π halogen bond in the complexes of Al4(2-) and halohydrocarbons.
Li R, Li Q, Cheng J, Li W
2012
PubMed
Journal of molecular modeling
The use of coupled HSQC spectra to aid in stereochemical assignments of molecules with severe proton spectral overlap.
Powder-George Y, Frank J, Ramsewak RS, Reynolds WF
2012
PubMed
Phytochemical analysis : PCA