Intuitively, a molecule’s fragments can be categorized into two types: those inherent in the building blocks (building block fragments, or BFrags) and those formed after chemical reactions (reaction-driven fragments, or RFrags). For instance, consider Aspirin synthesis, where the ester group orig...
A synthesis reaction involves: A. the creation of smaller molecules B. the formation of bonds C. the breaking of bonds D. the release of energy Chemical Reactions: Chemical reactions involve two or more elements that react with eac...
rotaxane (an interlocked molecule in which a macrocycle is trapped on a stoppered axle) acts as an efficient actuator to trigger the release of cargo molecules appended to its axle. The release of up to five cargo molecules per rotaxane actuator was demonstrated in solution, by ultrasonication, ...
Feynman in his famous lecture ‘There's plenty of room at the bottom’, in which he described how molecules and materials might be formed by attaching and detaching individual atoms at will. In this Review, we discuss recent progress and the future prospects of molecule generation by atom ...
A chemical reaction in which bonds are formed is usually associated with: a. a hydrolysis b. the release of energy c. a reduction in temperature d. catabolism e. the consumption of energy ___ is the sum of all chemical reactions in the body, while ___ ...
Details of the reactive processes by which TiC and TiN microclusters are formed from precursor molecules in the gas phase are not clearly understood. We have performed ab initio calculations based on density functional theory methods in order to get some insight into the chemical reactions of precu...
Rule for the product of the acid-base functions of molecules during association by hydrogen bonding in CCl 4 solutionsWhen H bonds are formed by the reaction in Eq. (1), the two molecules always have different functions. One partner, the protonic acid AH, serves as an electron acceptor, ...
Neutral C3O has been prepared by collision induced neutralisation of the precursor radical anion formed by the reaction −C≡C-CO-OEt C3O− + EtO. The similar neutralisation reionisation (−NR+) and charge reversal (CR) spectra of C3O− indicate that the potential surfaces of C3...
Hauser, A. W. & Ernst, W. E. Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part I. Vibronic spectra simulations based on ab initio calculations. Phys. Chem. Chem. Phys. 13, 18762–18768 (2011). Article CAS PubMed Google Scholar ...
which is mainly due to the oxidation of metallic Fe by H2O or active site blocking by adsorbed oxygenate species27,28. This suggests that a sufficient H2partial pressure, which is either cofed or formed in situ, is requisite for preventing the Fe-based catalysts from deactivation during HDO....