Hylleraas hydride binding energy: diatomic electron affinities
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2598-0 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2598-0 | ||
| 245 | 0 | 0 | |a Hylleraas hydride binding energy: diatomic electron affinities |h [Elektronische Daten] |c [Edward Chen, Herman Keith, Tristan Lim, Dang Pham, Reece Rosenthal, Charles Herder, Sunil Pai, R. Flores, Edward Chen] |
| 520 | 3 | |a Theoretical adiabatic electron affinities are often considered inaccurate because they are referenced to only a single value. Ground state electron affinities for all the main group elements and homonuclear diatomics were identified recently using the normalized binding energy of the hydrogen atom: [0.75420375(3)/2 = 0.37710187(1) eV]. Here we revisit experimental values and extend the identifications to diatomics in the G2-1 set. We assign new ground state electron affinities: (eV) Cl2, 3.2(2); Br2, 2.87(14); CH, 2.1(2); H2, 0.6 ; NH, 1.1, SiH, 1.90. Anion Morse potentials are calculated for H2 and N2 from positive electron affinities and for hyperfine superoxide states for the first time. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Semiempirical electron affinity |2 nationallicence | |
| 690 | 7 | |a Anion binding energy |2 nationallicence | |
| 690 | 7 | |a Morse potential |2 nationallicence | |
| 690 | 7 | |a Corrleation energy |2 nationallicence | |
| 700 | 1 | |a Chen |D Edward |u Baylor College of Medicine, One Baylor Plaza, 77030, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Keith |D Herman |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Lim |D Tristan |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Pham |D Dang |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Rosenthal |D Reece |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Herder |D Charles |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Pai |D Sunil |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Flores |D R. |u University of Houston Clear Lake, 2700 Bay Area Blvd, 77058, Houston, TX, USA |4 aut | |
| 700 | 1 | |a Chen |D Edward |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/4(2015-04-01), 1-13 |x 1610-2940 |q 21:4<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2598-0 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2598-0 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Chen |D Edward |u Baylor College of Medicine, One Baylor Plaza, 77030, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Keith |D Herman |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Lim |D Tristan |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Pham |D Dang |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Rosenthal |D Reece |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Herder |D Charles |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Pai |D Sunil |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Flores |D R. |u University of Houston Clear Lake, 2700 Bay Area Blvd, 77058, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Chen |D Edward |u Wentworth Foundation, 4039 Drummond, 77025, Houston, TX, USA |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/4(2015-04-01), 1-13 |x 1610-2940 |q 21:4<1 |1 2015 |2 21 |o 894 | ||