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1994, Frontiers in physics, ISBN 0201626543, Volume 89, xxi, 259
Book
Coordination Chemistry Reviews, ISSN 0010-8545, 12/2015, Volume 304-305, pp. 166 - 178
The recent advances in the development and application of density-based indexes for the description of the nature and the quantification of the extent of... 
Excited states exploration | ESPT | Density-based indexes | Charge transfer | TD-DFT | DESIGN | EFFICIENT SENSITIZER | ELECTRON-DONORS | CHEMISTRY, INORGANIC & NUCLEAR | DYE | SENSITIZED SOLAR-CELLS | NONLINEAR-OPTICAL PROPERTIES | PI-SPACERS | CHARGE-TRANSFER | INSIGHTS | Density functionals | Drug discovery | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 02/2011, Volume 44, Issue 1, pp. 238 - 240
MoleCoolQt is a molecule viewer for charge‐density research. Features include the visualization of local atomic coordinate systems in multipole refinements... 
visualization software | charge density | MoleCoolQt | INVARIOM | PROTEIN | CRYSTAL | CRYSTALLOGRAPHY | FEATURES | Visualization | Asymmetry | Crystallography | Scattering | Computer Programs
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 9/2010, Volume 107, Issue 38, pp. 16448 - 16452
A key challenge for organic electronics research is to develop device models that correctly account for the structural and energetic disorder typically present... 
Charge density | Luminous intensity | Electric potential | Charge carriers | Photovoltaic cells | Short circuits | Narrative devices | Materials | Heterojunctions | Electric current | RECOMBINATION | TRANSPORT | FILMS | PERFORMANCE | MULTIDISCIPLINARY SCIENCES | POLYMER | PHYSICS | HETEROJUNCTION SOLAR-CELLS | EFFICIENCY | BLENDS | Physical Sciences
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 04/2019, Volume 40, Issue 9, pp. 971 - 979
In this work, we investigated the nonlinear optical (NLO) properties of excess electron electride molecules of M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1–3)... 
NLO | DFT | alkaline‐earth | double cage excess electron compounds | transition metal | alkaline-earth | ATOMS K | MOLECULAR-ORBITAL METHODS | NANOMATERIALS | CATALYST | CHEMISTRY, MULTIDISCIPLINARY | INTRAMOLECULAR CHARGE-TRANSFER | NLO RESPONSES | HYPERPOLARIZABILITIES | DYNAMIC DIPOLE POLARIZABILITIES | BASIS-SETS | FORMALDEHYDE
Journal Article
Journal of Catalysis, ISSN 0021-9517, 04/2014, Volume 312, pp. 108 - 122
Journal Article
Reviews of Modern Physics, ISSN 0034-6861, 01/2008, Volume 80, Issue 1, pp. 3 - 60
Journal Article