Concepedia
Computational and Theoretical Chemistry · 2017 · 30 citations · 25 references
Open access
25
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations
Materials Science, New Density Functional, Chemical Engineering +14
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions
Per‐Olof Widmark, Per-�ke Malmqvist, Bj�rn O. Roos · Theoretical Chemistry Accounts · 1990 · 2K citations
Quantum Dynamic, Engineering, Physics +12
MOLCAS 7: The Next Generation
Francesco Aquilante, Luca De Vico, Nicolas Ferré et al. · Journal of Computational Chemistry · 2009 · 1.5K citations
Molecular Understanding of Organic Solar Cells: The Challenges
Jean‐Luc Brédas, Joseph E. Norton, Jérôme Cornil et al. · Accounts of Chemical Research · 2009 · 1.5K citations
Organic Charge-transfer Compound, Exciton Dissociation, Engineering +14
C<scp>RYSTAL14</scp>: A program for the<i>ab initio</i>investigation of crystalline solids
Roberto Dovesi, Roberto Orlando, Alessandro Erba et al. · International Journal of Quantum Chemistry · 2014 · 1.2K citations · Full text
Crystal Structure, Engineering, Computational Chemistry +16