Concepedia

D-π-A chromophores with a quinoxaline core in the π-bridge and bulky aryl groups in the acceptor: Synthesis, properties, and femtosecond nonlinear optical activity of the chromophore/PMMA guest-host materials

Liliya N. Islamova, A. G. Shmelev, Guzel M. Fazleeva, Olga D. Fominykh, Yulia B. Dudkina, Tatyana A. Vakhonina, Alina I. Levitskaya, Anastasiya V. Sharipova, Anvar S. Mukhtarov, Ayrat R. Khamatgalimov,

Dyes and Pigments · 2020 · 38 citations · 80 references

DOI

Concepts

References

80

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

, , +17

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

Yan Zhao, Nathan E. Schultz, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2006 · 3.7K citations

, , +16

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Edward Harder, Wolfgang Damm, Jon R. Maple et al. · Journal of Chemical Theory and Computation · 2015 · 3.1K citations

, , +17

Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1994 · 2.6K citations

, , +17