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 97-108 of 112

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

Theoretical aspects of binary and ternary complexes of aziridine···ammonia ruled by hydrogen bond strength.

Oliveira BG, Araújo RC

2012 PubMed Journal of molecular modeling

Theoretical investigation of the two-photon absorption properties of 3,6-bis(4-vinylpyridinium) carbazole derivatives--new biological fluorescent probes.

Sun Y, Zhao Y, Liu XT, Ren AM, Feng JK, Yu XQ

2012 PubMed Journal of molecular modeling

Theoretical studies on the structures and detonation properties of nitramine explosives containing benzene ring.

Zhao G, Lu M

2012 PubMed Journal of molecular modeling

Theoretical study of the local reactivity of electrophiles of the type MPR3(+) (M = Cu, Ag, Au; R = -H, -Me, -Ph).

Burgos D, Olea-Azar C, Mendizabal F

2012 PubMed Journal of molecular modeling

Theory of vibronic assistance in the nonequilibrium condensation of exciton polaritons in optically--pumped organic single crystal microcavities

Eric R. Bittner, Svitlana Zaster, Carlos Silva

2012 arXiv arXiv preprint

Time-dependent quantum dynamical simulations of C2 condensation under extreme conditions.

Jakowski J, Irle S, Morokuma K

2012 PubMed Physical chemistry chemical physics : PCCP

Toward quantum simulations of biological information flow

Ross Dorner, John Goold, Vlatko Vedral

2012 arXiv arXiv preprint