Results 191 to 200 of about 5,869 (242)
Some of the next articles are maybe not open access.

Related searches:

Theoretical study of the photochemistry of Cl2O

Journal of Chemical Physics, 2001
This is a theoretical study of the photochemistry of Cl2O based on ab initio potential energy surfaces and trajectory surface-hopping calculations. We calculated quasidiabatic states and couplings for eight singlet states of Cl2O with a multireference perturbation configuration interaction (CI) technique.
Maurizio Persico   +2 more
exaly   +2 more sources

Theoretical chemistry: current applications to photochemistry and thermochemistry

Theoretical Chemistry Accounts, 2012
A historical perspective is given contrasting challenges and advances in theoretical chemistry at the time the first issue of Theoretical Chemistry Accounts appeared in 1962 and the progress achieved since then as expressed in current state-of-the-art applications in photochemistry and thermochemistry.
Fernando Ornellas
exaly   +2 more sources

Benzylidene–oxazolones as photoswitches: photochemistry and theoretical calculations

Tetrahedron, 2013
Abstract The photophysics and photochemistry of a family of compounds proposed as efficient molecular photoswitches is presented. The effect of different light sources, substituents and solvents in the photostationary state has been explored. A detailed mechanistic description is also discussed.
Ignacio Funes-Ardoiz   +2 more
exaly   +2 more sources

Theoretical model for enhanced photochemistry on rough surfaces

Journal of Chemical Physics, 1981
A simplified theory of enhanced ultraviolet, visible, and infrared photochemistry near rough dielectric and metallic surfaces is described and numerically investigated. Protrusions on a rough surface are modeled as isolated microscopic spheres. We formulate classical equations of motion for molecules interacting with electromagnetic fields and such ...
Abraham Nitzan, Nitzan Abraham
exaly   +2 more sources

Recent theoretical developments in photochemistry

Coordination Chemistry Reviews, 1991
Kristine Pierloot   +2 more
exaly   +2 more sources

Theoretical studies of the photochemistry of acyclic azoalkanes

Journal of the American Chemical Society, 1977
Irving Epstein, Colin Steel
exaly   +2 more sources

Home - About - Disclaimer - Privacy