Concepedia

Exciplexes or ground state complexes of (dibenzoylmethanato)boron difluoride and benzene derivatives? A study of their optical properties revisited via liquid state investigations and structure calculations

Thanh-Toan Truong, Valérie Brenner, Gilles Ledoux, T.-H. Tran-Thi

Photochemical & Photobiological Sciences · 2006 · 20 citations · 23 references

Open access

Concepts

Natural SciencesChemistryPhysicsOrganic ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsCoordination ChemistryFluorescence SpectroscopyMolecular Orbital TheoryOptical Properties Of SolidsTransition Metal ComplexesAtomic Structure CalculationsBoron ChemistryGround State PropertiesOptical PropertiesPeriodic Electronic Structure CalculationsSolution-state Spectroscopy

References

23

Optimization by Simulated Annealing

Scott Kirkpatrick, C. D. Gelatt, M.P. Vecchi · Science · 1983 · 44.6K citations

Natural Sciences, Mathematics, Algorithms +10

Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

Computing, Computer Engineering, Computer Science +9

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

Natural Sciences, Chemistry, Physics +17

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

Natural Sciences, Chemistry, Physics +11

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

Natural Sciences, Chemistry, Physics +14