As a result, the observed Raman intensity pattern characteristic of the quinoid structure is well reproduced by the calculations at these correlated levels. Such a strong effect of electron correlation is rationalized by considering the change in the electronic structure induced by applying an electric...
abundant as those with formulae containing only C, H, and O. We would like to acknowledge that even though the new data presented cannot conclusively settle the discussion on DOM molecular diversity, it represents a major step towards an improved understanding of the structure of the DOM pool....
Synthesis, structure elucidation and dft study of a new thiazole–pyridine anchored nnn donor and it's cobalt(II) complex: In-vitro antitumor activity against U937 cancer cells, dna binding property and molecular docking study Pradip Bera, Abhishek Aher, Paula Brandao, Sunil Kumar Manna, ... ...
andnatural gas. An olefin contains one double bond between two carbon atoms. The generalchemical formulacan be represented as CH2=CHR, with R representing any of several possible atoms or groups of atoms. As the repeating unit of a polymer, thecompoundhas the following chemical structure: ...
Motivated by the structure evolution experiments of Janus NiAu nanoparticles (NPs), we present a detailed study on the thermodynamic evolution of Ni and Au NPs with different ratios of Au and Ni through the molecular dynamics (MD) simulations. It is found that, for fixed Ni particle size (5.8...
STRUCTURE TRANSPORTATION RESEARCH PART B- METHODOLOGICAL TRANSPORTATION RESEARCH PART B- METHODOLOGICAL RESUSCITATION SLEEP SCHIZOPHRENIA RESEARCH SCHIZOPHRENIA RESEARCH Current Neuropharmacology Engineering ACCOUNTING REVIEW EXPERIMENTAL NEUROLOGY International Journal of Precision Engineering and Manufacturing-Green ...
Effect of soil structure on the bioavailability of polycyclic aromatic hydrocarbons within aggregates of a contaminated soil Biodegradation of polycyclic aromatic hydrocarbon (PAH) was investigated in the whole matrix and in the different aggregate size fractions of a sandy soil ... N Amellal,JM ...
The initial SI copolymer was subjected to two different chemical modifications in order to alter, completely or partially, the chemical structure of the PI segment leading either to [polystyrene-b-poly(ethylene-alt-propylene)] (SEP) after complete hydrogenation or to polystyrene-b-poly(sulfonated is...
The principal assumption in NRQED is that the total energy can be expanded in powers of the fine-structure constant α ≃ 1/137 (3)E(α)=E(2)+E(4)+E(5)+E(6)+E(7)+O(α8), where E(n) are contributions of order αn. They are interpreted subsequently as the nonrelativistic ...
1), to probe the molecular-scale structural fingerprints of larger PAHs molecules, overcoming the intrinsic structure-discriminating limit confronted by the conventional spectroscopic and microscopic techniques. Taking industrially important SAPO-34-catalyzed MTO reaction as a model reaction, we first rule...