Molecular dynamics simulations of protein folding Theoretical studies of reaction mechanisms Quantum chemical calculations in material design Predictive models for catalytic activity Computational exploration of new chemical compounds Theoretical approaches to enzyme catalysis Machine learning in theoretical chemistry...
Intermolecular forces that act upon the physical properties of materials; Reaction kinetics on the rate of a reaction; The identity of ions and the electrical conductivity of materials; Surface science and the electrochemistry of cell membranes; Probing the structure and dynamics of ions, free radical...
Molecular basis for the diversification of lincosamide biosynthesis by pyridoxal phosphate-dependent enzymes The reaction mechanisms of the pyridoxal phosphate (PLP)-dependent enzymes LmbF and CcbF—involved in the biosynthesis of the antibiotic lincosamide—are characterized here. Structure–function analyses ...
(1795) about four years after its initial discovery and named it. He elucidated thecompositionof many substances, includingcompoundsoftellurium,strontium, beryllium, andchromium. In addition to more than 200 papers, he published a five-volume chemicaldictionarywith F.B. Wolff (1807–10) and a ...
You must be aware of important topics of the syllabus. Knowing about the IIT JAM Exam Pattern will help you to understand the marking scheme of the exam. Practice through IIT JAM Chemistry Previous Year Question Papers Start practicing through IIT JAM Previous Year Question Papers. It will lead...
publishes papers in synthetic and structural inorganic chemistry, bio-inorganic chemistry, inorganic reaction mechanisms, solid state, thermodynamics, spectroscopy, theoretical & quantum chemistry, nuclear, polymers, catalysis and analyt... About the Journal 被引量: 0发表: 0年 Kinetics and Reaction ...
Although controlling the morphology or doping with heteroatoms for catalyst active centers have accelerated the reaction rate, it is difficult to solve the problems of multiple by-products, and poor stability of catalytic sites. From this, it will be seen that single regulation of metal active ...
that is, predicting a class (for example, ‘high’, ‘low’) given a text representation of a molecule, material or reaction, to regression, that is, prediction of floating point numbers, to inverse design—the prediction of molecules. Metal–organic framework rendering created with iRASPA60. ...
However, the low solubility of CO in aqueous solution and high energy barrier of C–C coupling as well as the competing hydrogen evolution reaction (HER), severely restrict the efficiency for C2+ production in CORR. Dehui Deng and co-workers reported a promotion effect of high CO pressure ...
Understanding the working mechanism of organic electrodes is vital to strategic materials design. However, due to lack of suitable characterization tools, it has been challenging to probe the reaction processes of organic electrodes in real-time. Here, non-destructive in situ electron paramagnetic ...