Quantum Chemistry
9,538 papers
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 9265-9276 of 9,538
Thermodynamic stability of hydrogen clathrates.
Patchkovskii S, Tse JS
2003
PubMed
Proceedings of the National Academy of Sciences of the United States of America
Thiols enhance NO formation from nitrate photolysis.
Dejam A, Kleinbongard P, Rassaf T, Hamada S, Gharini P, Rodriguez J, Feelisch M, Kelm M
2003
PubMed
Free radical biology & medicine
Tuning heme redox potentials in the cytochrome C subunit of photosynthetic reaction centers.
Voigt P, Knapp EW
2003
PubMed
The Journal of biological chemistry
Tunneling and optical spectroscopy of semiconductor nanocrystals.
Banin U, Millo O
2003
PubMed
Annual review of physical chemistry
Unconventional superconductivity and novel quantum order.
Pugh E
2003
PubMed
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
Ureases: quantum chemical calculations on cluster models.
Suárez D, Díaz N, Merz KM Jr
2003
PubMed
Journal of the American Chemical Society
Why do divalent metal ions either promote or inhibit enzymatic reactions? The case of BamHI restriction endonuclease from combined quantum-classical simulations.
Mordasini T, Curioni A, Andreoni W
2003
PubMed
The Journal of biological chemistry
2-Pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study.
Moran D, Sukcharoenphon K, Puchta R, Schaefer HF 3rd, Schleyer PV, Hoff CD
2002
PubMed
The Journal of organic chemistry
Ab initio QM/MM dynamics simulation of the tetrahedral intermediate of serine proteases: insights into the active site hydrogen-bonding network.
Topf M, Várnai P, Richards WG
2002
PubMed
Journal of the American Chemical Society
Aqueous synthesis of III-V semiconductor GaP and InP exhibiting pronounced quantum confinement.
Gao S, Lu J, Chen N, Zhao Y, Xie Y
2002
PubMed
Chemical communications (Cambridge, England)
Automated analysis of large sets of heteronuclear correlation spectra in NMR-based drug discovery.
Damberg CS, Orekhov VY, Billeter M
2002
PubMed
Journal of medicinal chemistry
B4CO2: a new, observable sigma-pi diradical.
Zhou M, Xu Q, Wang ZX, Schleyer Pv
2002
PubMed
Journal of the American Chemical Society