Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design

von Blaskovits, J Terence
Veröffentlicht in: Advanced materials (Deerfield Beach, Fla.) (2024)

Optimizing the Thermodynamics and Kinetics of the Triplet-Pair Dissociation in Donor-Acceptor Copolymers for Intramolecular Singlet Fission

von Fumanal, Maria
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2022)

Beyond static structures Putting forth REMD as a tool to solve problems in computational organic chemistry

von Petraglia, Riccardo
Veröffentlicht in: Journal of computational chemistry (2016)

Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL

von Bomble, Laetitia
Veröffentlicht in: Journal of computational chemistry (2013)

Identifying clusters as low-lying mimina--efficiency of stochastic and genetic algorithms using inexpensive electronic structure levels

von Avaltroni, Fabrice
Veröffentlicht in: Journal of computational chemistry (2012)

Efficiency of random search procedures along the silicon cluster series Si(n) (n=5-10, 15, and 20)

von Avaltroni, Fabrice
Veröffentlicht in: Journal of computational chemistry (2011)

Structure determination of slowly exchanging conformers in solution using high-resolution NMR, computational modeling and DFT-GIAO chemical shielding application to an erythronolid...

von Muri, Dieter
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2009)