A First Principles Investigation of the Structure of a Bacteriochlorophyll Crystal
- 1 January 1996
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (33), 7847-7848
- https://doi.org/10.1021/ja953342r
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- Dual-space approach for density-functional calculations of two- and three-dimensional crystals using Gaussian basis functionsPhysical Review B, 1995
- The performance of density functional methods for the description of weak interaction potentials. The torsional potential of butaneChemical Physics Letters, 1994
- ‘‘Ab initio’’ liquid waterThe Journal of Chemical Physics, 1993
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- A test of the utility of plane-waves for the study of molecules from first principlesJournal of the American Chemical Society, 1992
- Structural and electronic properties of C70Chemical Physics Letters, 1992
- Potentials for the Classical Simulation of Molecular Systems: Current and Future Model Intermolecular PotentialsPublished by Springer Nature ,1991
- A b i n i t i o approach to molecular crystals: A periodic Hartree–Fock study of crystalline ureaThe Journal of Chemical Physics, 1990
- An all-electron numerical method for solving the local density functional for polyatomic moleculesThe Journal of Chemical Physics, 1990
- A high-precision structure of a bacteriochlorophyll derivative, methyl bacteriopheophorbide aJournal of the American Chemical Society, 1989