molecular weight/ molar mass 48 g/mol boiling point -112 °c melting point -192.2 °c chemical formula o 3 ozone structure – o 3 physical properties of ozone – o 3 odour similar to chlorine appearance pale blue gas covalently-bonded unit 1 hydrogen bond acceptor 2 complexity 4.8 ...
Hypochlorite (ClO-) - Hypochlorite is the chemical name of ClO-. Visit BYJU’S to study the uses, physical and chemical properties, the structure of Hypochlorite (ClO-) from the expert faculties.
Many types of molecular descriptors have been developed, such as the number of carbon atoms; molecular weight; predictive values of LogP (XLogP [2], ALogP [3], etc.); properties calculated from two-dimensional (2D) structures (e.g., Eccentric Connectivity Index [4]) and three-dimensional ...
LOOS (Lightweight Object-Oriented Structure library) is a C++ library (with Python bindings) for reading and analyzing molecular dynamics trajectories that also includes a number of standalone programs. lsfitpar derives bonded parameters for Class I force fields by performing a robust fit to potentia...
which hinders their wide use by researchers developing advanced quantitative-structure–property-relationship models using machine learning. Here, we describe a suite of open-source Python-based post-processing routines, called PyL3dMD, for calculating 3D descriptors from MD simulations. PyL3dMD is comp...
where δb(t) = b(t)-, b(t) is a binary calculator. If a pair of atoms have a bond, take 1; no bond, take 0. In the MD simulation, the chemical bond may break and form. If the chemical bond does not change, the value of TCF will be kept at 1; if the chemical bond bre...
molecular weight,sun of atomic properties molecular weight,average molecular weight, number of:hydrogen atoms,carbon atoms, heteroatoms,non-hydrogen atoms, rings,bonds,et,al. 1Dfragments counts number of: primary C(sp3),secondary C(sp3),tertiary C(sp3), ...
et al. SAXSMoW 2.0: online calculator of the molecular weight of proteins in dilute solution from experimental SAXS data measured on a relative scale. Protein Sci. 28, 454–463 (2019). Article CAS PubMed Google Scholar Franke, D., Jeffries, C. M. & Svergun, D. I. Machine learning ...
co co carbon monoxide molecular weight/ molar mass 28.010 g/mol density 789 kg/m3 boiling point −191.5 °c melting point −205.02 °c carbon monoxide structure carbon monoxide structure – co co uses it is used in the production of methanol it is used in the packaging of fresh meat ...
molecular weight/ molar mass 30.031 g/mol boiling point -19 °c melting point -92.0 o c chemical formula hcho formaldehyde structure – ch 2 o physical properties of formaldehyde – ch 2 o odour suffocating odour appearance colourless gas covalently-bonded unit 1 hydrogen bond acceptor 1 ...