Energetics of organic solid-state reactions: electronic structure and photoreaction mechanism of the 2,5-distyrylpyrazine oligomer molecular crystal

• Published in: Journal of physical chemistry (1952) 1994, Vol.98 (2), p.685-691
• Main Authors: Peachey, N. M, Eckhardt, C. J
• Format: Article
• Language: English
• Subjects: Applied sciences; Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Condensed matter: structure, mechanical and thermal properties; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Physicochemistry of polymers; Physics; Polymerization; Polymers and radiations; Polymers, elastomers, and plastics; Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.); Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models); Structure of solids and liquids; crystallography
• ISSN: 0022-3654; 1541-5740
• DOI: 10.1021/j100053a050