Pure and Applied Chemistry

Keyword detail

Articles with keyword "quantum chemistry"

Rui M. Borges dos Santos, Benedito J. Costa Cabral and José A. Martinho Simões
Bond-dissociation enthalpies in the gas phase and in organic solvents: Making ends meet
2007, Vol. 79, Issue 8, pp. 1369-1382 [Details + Abstract] [Full text - pdf 237 kB]
Daniel Roca-Sanjuán, Gloria Olaso-González, Mercedes Rubio, Pedro B. Coto, Manuela Merchán, Nicolas Ferré, Valdemir Ludwig and Luis Serrano-Andrés
DNA nucleobase properties and photoreactivity: Modeling environmental effects
2009, Vol. 81, Issue 4, pp. 743-754 [Details + Abstract] [Full text - pdf 1217 kB]
Israel González-Ramírez, Teresa Climent, Juan José Serrano-Pérez, Remedios González-Luque, Manuela Merchán and Luis Serrano-Andrés
The role of pyrimidine nucleobase excimers in DNA photophysics and photoreactivity
2009, Vol. 81, Issue 9, pp. 1695-1705 [Details + Abstract] [Full text - pdf 516 kB]