- Effects of spin contamination on estimating bond dissociation energies of polycyclic aromatic hydrocarbons
2015/03/18 by Guillaume Blanquart · 2 citations
Chemical Engineering · Chemistry · Earth and Planetary Sciences · Materials Science · #Advanced Combustion Engine Technologies #Atmospheric chemistry and aerosols #Bond-dissociation energy #Catalytic Processes in Materials Science #Chemistry #Combustion #Computational chemistry #Dissociation (chemistry) #Molecule #Open shell #Organic chemistry #Physical chemistry #Physics #Polycyclic aromatic hydrocarbon #Radical #Soot #Spin (aerodynamics) #Standard enthalpy of formation #Thermodynamics
- Superheavy Element Flerovium (Element 114) Is a Volatile Metal
2014/01/23 by A. Yakushev, J. M. Gates, Α. Türler +41 · 1 citation
Physics and Astronomy · Chemistry · #Nuclear physics research studies #Advanced Chemical Physics Studies #Atomic and Molecular Physics #Chemistry #Metal #Open shell #Valence electron #Valence (chemistry) #Relativistic quantum chemistry #Adsorption #Superheavy Elements #Isothermal process #Main group element #Analytical Chemistry (journal) #Physical chemistry #Electron #Atomic physics #Transition metal #Catalysis #Thermodynamics #Nuclear physics #Organic chemistry
- Spin–orbit effects on the transactinide p-block element monohydrides MH (M=element 113–118)
2000/02/08 by Young‐Kyu Han, Cheolbeom Bae, Sang-Kil Son +1 · 5 citations
Physics and Astronomy · Chemistry · Materials Science · #Advanced Chemical Physics Studies #Inorganic Chemistry and Materials #Hydrogen Storage and Materials #Bond length #Atomic physics #Dissociation (chemistry) #Bond-dissociation energy #Spin–orbit interaction #Open shell #Molecular orbital #Atomic orbital #Atomic number #Molecule #Valence (chemistry) #Chemistry #Physics #Physical chemistry #Condensed matter physics #Electron #Nuclear physics
- Spin−Orbit Effects, VSEPR Theory, and the Electronic Structures of Heavy and Superheavy Group IVA Hydrides and Group VIIIA Tetrafluorides. A Partial Role Reversal for Elements 114 and 118
1999/01/01 by Clinton S. Nash, Bruce E. Bursten · 8 citations
Chemistry · Physics and Astronomy · Materials Science · #Inorganic Fluorides and Related Compounds #Advanced Chemical Physics Studies #Catalytic Processes in Materials Science #Spin–orbit interaction #Group (periodic table) #Spin (aerodynamics) #Coupling (piping) #Atom (system on chip) #Main group element #Atomic physics #Orbit (dynamics) #Chemistry #Open shell #Superheavy Elements #Physics #Materials science #Condensed matter physics #Transition metal #Thermodynamics
- A simple measure of electron localization in atomic and molecular systems
1990/05/01 by Axel D. Becke, A. D. Becke, Kenneth E. Edgecombe +1 · 122 citations
Chemistry · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic physics #Chemistry #Computer science #Crystallography and molecular interactions #Electron #Electron localization function #Electronic structure #Lone pair #Measure (data warehouse) #Molecular orbital #Molecule #Open shell #Physics #Quantum mechanics #Simple (philosophy) #Spin (aerodynamics) #Statistical physics #Surface Chemistry and Catalysis #Tight binding #Unitary state