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 2869-2880 of 3,656

Quantification of thermal ring flexibilities of aromatic and heteroaromatic compounds.

Cysewski P

2011 PubMed Journal of molecular modeling

Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium.

de Lira FA, Farias Mde S, de Figueiredo AF, Gil Fdos S, dos Santos MA, Malheiros BV, Ferreira JE, Pinheiro JC, Treu-Filho O, Kondo RT

2011 PubMed Journal of molecular modeling

Quantum chemical studies on the aminopolynitropyrazoles.

Ravi P, Gore GM, Tewari SP, Sikder AK

2011 PubMed Journal of molecular modeling

Quantum dot cytotoxicity in vitro: an investigation into the cytotoxic effects of a series of different surface chemistries and their core/shell materials.

Clift MJ, Varet J, Hankin SM, Brownlee B, Davidson AM, Brandenberger C, Rothen-Rutishauser B, Brown DM, Stone V

2011 PubMed Nanotoxicology

Quantum Dot Infrared Photodetectors: Photoresponse Enhancement Due to Potential Barriers.

Mitin V, Antipov A, Sergeev A, Vagidov N, Eason D, Strasser G

2011 PubMed Nanoscale research letters

Quantum mechanical origin of the conformational preferences of 4-thiaproline and its S-oxides.

Choudhary A, Pua KH, Raines RT

2011 PubMed Amino acids

Seasonal changes in the excess energy dissipation from Photosystem II antennae in overwintering evergreen broad-leaved trees Quercus myrsinaefolia and Machilus thunbergii.

Yamazaki JY, Kamata K, Maruta E

2011 PubMed Journal of photochemistry and photobiology. B, Biology

Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study.

Hanna G, Geva E

2011 PubMed The journal of physical chemistry. B

Silicon alleviates drought stress of rice plants by improving plant water status, photosynthesis and mineral nutrient absorption.

Chen W, Yao X, Cai K, Chen J

2011 PubMed Biological trace element research

STEM mode in the SEM: a practical tool for nanotoxicology.

Hondow N, Harrington J, Brydson R, Doak SH, Singh N, Manshian B, Brown A

2011 PubMed Nanotoxicology

Supramolecular synthon pattern in solid clioquinol and cloxiquine (APIs of antibacterial, antifungal, antiaging and antituberculosis drugs) studied by ³⁵Cl NQR, ¹H-¹⁷O and ¹H-¹⁴N NQDR and DFT/QTAIM.

Latosińska JN, Latosińska M, Tomczak MA, Seliger J, Zagar V

2011 PubMed Journal of molecular modeling

Synthesis and characterization of a novel high luminescent gold-2-mercapto-1-methyl-imidazole complex.

Cardone G, Carotenuto G, Conte P, Alonzo G

2011 PubMed Luminescence : the journal of biological and chemical luminescence