Valemiile

Valemiile is a term used in theoretical chemical graph theory as a hypothetical construct to denote a set of valence patterns assigned to the bonding graph of a molecule. Each valemiul represents a particular distribution of valence bonds among atoms, consistent with each atom's valence limits and the overall charge. The collection of all valid valemiile for a given molecular graph provides an abstract landscape of possible bonding topologies independent of specific orbitals.

The concept emphasizes combinatorial structure over exact electron localization. It is used to study enumeration of isomers, bond connectivity, and reactivity patterns by focusing on permissible bonding arrangements rather than precise electron density. Valemiile can be generated algorithmically from a graph where vertices are atoms and edges indicate potential bonds; constraints include maximum valence per atom and, when needed, formal charge and multiple bonds.

Relationship to standard concepts: Valemiile generalize the idea of valence by treating bond opportunities as combinatorial objects. They complement resonance analyses and formal charge considerations by offering a topological perspective.

Applications and limitations: In cheminformatics and computer-aided design, valemiile assist in rapid screening of feasible connectivity before quantum calculations. They are an abstraction and do not specify electron density or orbital overlap; they must be integrated with other methods for practical predictions.

See also: valence, chemical graph theory, isomer enumeration, resonance structure, cheminformatics.