Henry F. Schaefer
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
2020/05/13 by Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32 · 32 citations
Chemical Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Spectroscopy and Quantum Chemical Studies
- Fast construction of the exchange operator in an atom-centered basis with concentric atomic density fitting
2014/10/17 by David S Hollman, David S. Hollman, Hollman, David S. +4 · 1 citation
Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum and electron transport phenomena #Quantum chaos and dynamical systems #physics.chem-ph
- Carbene Stabilization of Diarsenic: From Hypervalency to Allotropy
2009/11/24 by M.Y. Abraham, Yuzhong Wang, Yaoming Xie +4 · 2 citations
Chemistry · #Synthesis and characterization of novel inorganic/organometallic compounds #N-Heterocyclic Carbenes in Organic and Inorganic Chemistry #Coordination Chemistry and Organometallics
- Mononuclear and binuclear manganese carbonyl hydrides: the preference for bridging hydrogens over bridging carbonyls
2009/01/01 by Xianmei Liu, Chaoyang Wang, Qian‐Shu Li +3 · 1 citation
Chemical Engineering · Chemistry · Materials Science · #Asymmetric Hydrogenation and Catalysis #Carbon dioxide utilization in catalysis #Hydrogen Storage and Materials
- Идеальный образ физического развития как элемент психокультуры человека в России на рубеже XX XXI веков
2007/01/01 by Yuzhong Wang, Yaoming Xie, Pingrong Wei +6 · 1 citation
Chemistry · Engineering · Health Professions · Materials Science · Social Sciences · #N-Heterocyclic Carbenes in Organic and Inorganic Chemistry #Organic and Molecular Conductors Research #Perovskite Materials and Applications #Physical Education and Training Studies #Social and Behavioral Studies
- Bromine Halides: The Neutral Molecules BrClFn (n = 1− 5) and Their Anions Structures, Energetics, and Electron Affinities
1999/07/01 by Igor S. Ignatyev, Henry F. Schaefer · 1 citation
Chemistry · Physics and Astronomy · Chemical Engineering · #Inorganic Fluorides and Related Compounds #Advanced Chemical Physics Studies #Ammonia Synthesis and Nitrogen Reduction #Chemistry #Molecule #Dissociation (chemistry) #Bromine #Affinities #Electron affinity (data page) #Density functional theory #Halogen #Computational chemistry #Bond-dissociation energy #Ion #Crystallography #Atomic physics #Stereochemistry #Physical chemistry
- Remarkable electron accepting properties of the simplest benzenoid cyanocarbons: hexacyanobenzene, octacyanonaphthalene and decacyanoanthracene
2006/01/01 by Xiuhui Zhang, Qian‐Shu Li, Justin B. Ingels +6 · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Fullerene Chemistry and Applications #Synthesis and Properties of Aromatic Compounds
- Tanzlinden, espacios disponibles
2006/01/01 by Yuzhong Wang, Hunter P. Hickox, Yaoming Xie +6 · 1 citation
Chemistry · Economics, Econometrics and Finance · Social Sciences · #Historical and socio-economic studies of Spain and related regions #N-Heterocyclic Carbenes in Organic and Inorganic Chemistry #Organometallic Complex Synthesis and Catalysis #Synthesis and characterization of novel inorganic/organometallic compounds #Urbanism, Landscape, and Tourism Studies