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 2797-2808 of 3,656
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
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditions.
Jakowski J, Irle S, Morokuma K
2012
PubMed
Physical chemistry chemical physics : PCCP
Transport behavior of selected nanoparticles with different surface coatings in granular porous media coated with Pseudomonas aeruginosa biofilm.
Tripathi S, Champagne D, Tufenkji N
2012
PubMed
Environmental science & technology
Triple-quantum-filtered sodium imaging of the human brain at 4.7 T.
Tsang A, Stobbe RW, Beaulieu C
2012
PubMed
Magnetic resonance in medicine
Why is the crystal shape of TATB is so similar to its molecular shape? Understanding by only its root molecule.
Zhang C, Kang B, Cao X, Xiang B
2012
PubMed
Journal of molecular modeling
A density functional theory for studying ionization processes in water clusters.
Livshits E, Granot RS, Baer R
2011
PubMed
The journal of physical chemistry. A
A novel way to numerically characterize DNA sequences and its application.
Guo Y, Wang YF, Zhang SL
2011
PubMed
International journal of quantum chemistry
A physiochemical study of excited state intramolecular proton transfer process-Luminescent chemosensor by spectroscopic investigation supported by ab initio calculations.
Jayabharathi J, Thanikachalam V, Jayamoorthy K, Perumal MV
2011
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
A practical guide for the setup of a 1H-31P-13C double cross-polarization (DCP) experiment.
Ciesielski W, Kassassir H, Potrzebowski MJ
2011
PubMed
Solid state nuclear magnetic resonance