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 9181-9192 of 9,538
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
The initiating radical yields and the efficiency of polymerization for various dental photoinitiators excited by different light curing units.
Neumann MG, Schmitt CC, Ferreira GC, Corrêa IC
2006
PubMed
Dental materials : official publication of the Academy of Dental Materials
The trans labilization of cis-[PtCl2(13CH3NH2)2] by glutathione can be monitored at physiological pH by [1H,13C] HSQC NMR.
Gibson D, Kasherman Y, Kowarski D, Freikman I
2006
PubMed
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry