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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 33, 1977 - Issue 1
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Original Articles

Comparison of the structure and spectra of the HNO+ and NOH+ ions using ab initio SCF and CI methods

Christel Marian Lehrstuhl für Theoretische Chemie and Institut für Physikalische Chemie, Universität Bonn, 53 Bonn, Germany
,
Pablo J. Bruna Lehrstuhl für Theoretische Chemie and Institut für Physikalische Chemie, Universität Bonn, 53 Bonn, Germany
,
Robert J. Buenker Lehrstuhl für Theoretische Chemie and Institut für Physikalische Chemie, Universität Bonn, 53 Bonn, Germany
&
Sigrid D. Peyerimhoff Lehrstuhl für Theoretische Chemie and Institut für Physikalische Chemie, Universität Bonn, 53 Bonn, Germany
Pages 63-74 | Received 26 Jul 1976, Published online: 22 Aug 2006

Citations (20)

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Miljenko Perić, SigridD. Peyerimhoff & RobertJ. Buenker. (1985) Ab initio treatment of the Renner-Teller effect and application to various AH2 and HAB molecules. International Reviews in Physical Chemistry 4:2, pages 85-124.
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A.D. McLean, G.H. Loew & D.S. Berkowitz. (1978) HNO+ and NOH+ Potential energy surfaces for the lowest two electronic states. including the barrier to isomerization. Molecular Physics 36:5, pages 1359-1372.
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Articles from other publishers (18)

Zhimo Wang, Siting Hou & Changjian Xie. (2023) Nonadiabatic quantum dynamics of the charge transfer reaction H + + NO(X 2 Π) → H + NO + (X 1 Σ + ) . Physical Chemistry Chemical Physics 25:35, pages 23808-23818.
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Dandamudi Usharani, Maria Elisa Crestoni & Simonetta Fornarini. (2022) Prevailing charge transfer in the reaction of protonated and neutral nitric oxide: A theoretical and experimental study. International Journal of Mass Spectrometry 471, pages 116724.
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Saieswari Amaran, Sanjay Kumar & H. Köppel. (2008) Ab initio potential energy surfaces and nonadiabatic interactions in the H++NO collision system . The Journal of Chemical Physics 128:12.
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A Ben Houria, H Gritli, N Jaidane, Z Ben Lakdhar, G Chambaud & P Rosmus. (2001) Electronic states of HNO+ and HON+. Chemical Physics 274:2-3, pages 71-86.
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A. Luna, A. M. Mebel & K. Morokuma. (1996) Density functional study of the global potential energy surfaces of the [H,C,N,O]+ system in doublet and quartet states. The Journal of Chemical Physics 105:8, pages 3187-3205.
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M. Riad Manaa & David R. Yarkony. (1992) On the intersection of potential energy surfaces in charge transfer reactions: A crossing seam for two states of the same symmetry in the reaction H++NO( X  2Π)→H(2 S )+NO+( X  1Σ+) . The Journal of Chemical Physics 97:1, pages 715-717.
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David R. Yarkony. (1989) Nonadiabatic effects in the vicinity of multiple surface crossings. Evaluation of derivative couplings with respect to rotational and internal degrees of freedom. Application to the charge transfer reaction H++NO→H+NO+. The Journal of Chemical Physics 90:3, pages 1657-1665.
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Michael J. Frisch, Krishnan Raghavachari, John A. Pople, Willem J. Bouma & Leo Radom. (1983) Unusual low-energy isomers for simple radical cations. Chemical Physics 75:3, pages 323-329.
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Miljenko Perić, Mirjana Mladenović, Jasenka Fejzo, Christel M. Marian & Pablo J. Bruna. (1982) A theoretical study of the vibronic structure in the electronic spectrum of HNO+. Chemical Physics Letters 88:6, pages 547-552.
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David M. Hirst. 1982. Advances in Chemical Physics. Advances in Chemical Physics 517 587 .
F A Gianturco, U Gierz & J P Toennies. (1981) Anomalous vibrational excitation of O 2 in collisions with protons at 10 eV when compared with N 2 , CO and NO . Journal of Physics B: Atomic and Molecular Physics 14:4, pages 667-677.
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ROBERT S. MULLIKEN & WALTER C. ERMLER. 1981. Polyatomic Molecules. Polyatomic Molecules 78 100 .
F. A. Gianturco & V. Staemmler. 1981. Intermolecular Forces. Intermolecular Forces 79 99 .
Pablo J. Bruna & Christel M. Marian. (1979) Ab initio study on the isomers HNO+ and NOH+. vertical spectra and heat of formation. Chemical Physics 37:3, pages 425-444.
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Roderich Preuss, Robert J. Buenker & Sigrid D. Peyerimhoff. (1978) MRD-CI calculations for the structure and stability of the hsin-hnsi isomers. Journal of Molecular Structure 49:1, pages 171-179.
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David T. Clark, Benjamin J. Cromarty & Antonio Sgamelloti. (1978) A theoretical investigation of the electronic reorganization processes accompanying core ionization in the isomeric molecules HCN, HNC and HNO, HON. Journal of Electron Spectroscopy and Related Phenomena 14:3, pages 175-185.
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Pablo J. Bruna, Sigrid D. Peyerimhoff & Robert J. Buenker. (1978) Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+. Chemical Physics 27:1, pages 33-43.
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Neena L. Summers & James Tyrrell. (1978) Ab initio studies of the protonation of CO, N2 and NO+: Calculation of the minimum energy reaction paths. Theoretica Chimica Acta 47:3, pages 223-231.
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