Quantum Chemistry
8,532 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 8173-8184 of 8,532
Specific parametrisation of a hybrid potential to simulate reactions in phosphatases.
Arantes GM, Loos M
2006
PubMed
Physical chemistry chemical physics : PCCP
SQUID-detected microtesla MRI in the presence of metal.
Mössle M, Han SI, Myers WR, Lee SK, Kelso N, Hatridge M, Pines A, Clarke J
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods.
Gupta VP, Sharma A, Virdi A, Ram V
2006
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Structure of the pyrroloquinoline quinone radical in quinoprotein ethanol dehydrogenase.
Kay CW, Mennenga B, Görisch H, Bittl R
2006
PubMed
The Journal of biological chemistry
Study on interaction between poly(amidoamine) dendrimer and CdSe nanocrystal in chloroform.
Pan B, Gao F, He R, Cui D, Zhang Y
2006
PubMed
Journal of colloid and interface science
Studying reactive processes with classical dynamics: rebinding dynamics in MbNO.
Nutt DR, Meuwly M
2006
PubMed
Biophysical journal
The cytotoxicity of ortho alkyl substituted 4-X-phenols: a QSAR based on theoretical bond lengths and electron densities.
Loader RJ, Singh N, O'malley PJ, Popelier PL
2006
PubMed
Bioorganic & medicinal chemistry letters
The electronic structure of human erythropoietin as an aid in the design of oxidation-resistant therapeutic proteins.
Pichierri F
2006
PubMed
Bioorganic & medicinal chemistry letters
The Fe-CO bond energy in myoglobin: a QM/MM study of the effect of tertiary structure.
Strickland N, Mulholland AJ, Harvey JN
2006
PubMed
Biophysical journal
The hydration structure of 18-crown-6/K+ complex as studied by Monte Carlo simulation using ab initio fitted potential.
Krongsuk S, Kerdcharoen T, Hannongbua S
2006
PubMed
Journal of molecular graphics & modelling
The influence of planarity, rigidity and internal heavy atom upon fluorescence parameters and the intersystem crossing rate constant in molecules with the biphenyl basis.
Nijegorodov N, Luhanga PV, Nkoma JS, Winkoun DP
2006
PubMed
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
The inhibition of osteogenesis with human bone marrow mesenchymal stem cells by CdSe/ZnS quantum dot labels.
Hsieh SC, Wang FF, Lin CS, Chen YJ, Hung SC, Wang YJ
2006
PubMed
Biomaterials