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chemical file format An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
The XYZ file format is a chemical file format. There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines. [ 1 ]
Spaces within a formula must be directly managed (for example by including explicit hair or thin spaces). Variable names must be italicized explicitly, and superscripts and subscripts must use an explicit tag or template. Except for short formulas, the source of a formula typically has more markup overhead and can be difficult to read.
chemical file format SMILES generation algorithm for ciprofloxacin : break cycles, then write as branches off a main backbone The Simplified Molecular Input Line Entry System ( SMILES ) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings .
Chemical formula Synonyms CAS number CAgO carbonylsilver: CCl 2 F 2: dichlorodifluoromethane freon-12: 75-71-8 CCl 4: carbon tetrachloride tetrachloromethane: 56-23-5 C(CN) 4: tetracyanomethane: 24331-09-7 CFCl 3: trichlorofluoromethane freon-11: 75-69-4 CFCl 2 CF 2 Cl: chlorotrifluoromethane freon-13: 75-72-9 CHCl 3: chloroform ...
Protactinium-231 arises naturally from the decay of natural uranium-235, and artificially in nuclear reactors by the reaction 232 Th + n → 231 Th + 2n and the subsequent beta decay of 231 Th. It was once thought to be able to support a nuclear chain reaction, which could in principle be used to build nuclear weapons ; the physicist Walter ...
Smartsheet – Online spreadsheet for project management, interactive Gantt, file sharing, integrated with Google Apps [8] Sourcetable [9] – AI spreadsheet that generates formulas, charts, SQL, and analyzes data. ThinkFree Online Calc – as part of the ThinkFree Office online office suite, using Java
Chemical substance – Form of matter; Inorganic compounds by element; List of alloys; List of alkanes; List of elements by name; List of minerals – List of minerals with Wikipedia articles; List of alchemical substances; Polyatomic ion – Ion containing two or more atoms; Exotic molecules – Atoms composed of exotic particles can form ...