caa a22 4500 469072008 CHVBK 20180323132924.0 cr unu---uuuuu 170328e19920201xx s 000 0 eng 10.1007/BF00671979 doi (NATIONALLICENCE)springer-10.1007/BF00671979 Molecular enthalpies: 1. Ground-state thermodynamic and computed enthalpies of the norbornadiene cycle [Elektronische Daten] [D. Rogers, F. McLafferty, Wei Fang, Qi Yang, Yeping Zhao] The enthalpies of formation of norbornadiene, norbornene, norbornane, nortricyclane, and quadricyclane, which are experimentally known, have been calculated using the semiempirical programs MNDO, AM1, and PM3 and the empirical force-field method MMP2. MMP2 agrees most closely with experimental results. Of the semiempirical methods, PM3 agrees most closely with experimental results and is very good for the alkenes. Enthalpies of hydrogenation, calculable fromΔH f, are inconclusive on the question of ground-state homoaromatic stabilization of norbornadiene. Plenum Publishing Corporation, 1992 Rogers D. Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut McLafferty F. Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut Fang Wei Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut Yang Qi Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut Zhao Yeping Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut Structural Chemistry Kluwer Academic Publishers 3/1(1992-02-01), 53-58 1040-0400 3:1<53 1992 3 11224 https://doi.org/10.1007/BF00671979 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00671979 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Rogers D. Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 700 1- McLafferty F. Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 700 1- Fang Wei Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 700 1- Yang Qi Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 700 1- Zhao Yeping Chemistry Department, The Brooklyn Center, Long Island University, 11201, Brooklyn, NY, USA aut NATIONALLICENCE 773 0- Structural Chemistry Kluwer Academic Publishers 3/1(1992-02-01), 53-58 1040-0400 3:1<53 1992 3 11224 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer