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Grein, Friedrich (2020) Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state. Molecular Physics, 118. doi:10.1080/00268976.2019.1606463

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Reference TypeJournal (article/letter/editorial)
TitleAb initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state
JournalMolecular Physics
AuthorsGrein, FriedrichAuthor
Year2020 (February 1)Volume118
PublisherInforma UK Limited
DOIdoi:10.1080/00268976.2019.1606463Search in ResearchGate
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Mindat Ref. ID5983345Long-form Identifiermindat:1:5:5983345:5
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Full ReferenceGrein, Friedrich (2020) Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state. Molecular Physics, 118. doi:10.1080/00268976.2019.1606463
Plain TextGrein, Friedrich (2020) Ab initio studies on the NO(X2II) − O2(X3 Σg−) van der Waals complexes in the doublet state. Molecular Physics, 118. doi:10.1080/00268976.2019.1606463
In(n.d.) Molecular Physics Vol. 118. Informa UK Limited

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Grein, Friedrich (2018) High-level ab initio studies of NO(X2Π)–O2(X3Σg −) van der Waals complexes in quartet states. Molecular Physics, 116. 1251-1257 doi:10.1080/00268976.2017.1420831
Grein, Friedrich (2020) CH4O2, NH3O2, H2O O2 and HF O2 triplet complexes. Ab initio studies and comparisons. From van der Waals to hydrogen bonding. Computational and Theoretical Chemistry, 1182. 112834pp. doi:10.1016/j.comptc.2020.112834
Karna, Shashi P., Grein, Friedrich (1990) Ab initio SCF and CI studies of the electric field gradient in LiH. Molecular Physics, 69. 661-670 doi:10.1080/00268979000100491
Karna, S.P., Grein, Friedrich, Engels, B., Peyerimhoff, S.D. (1990) Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35Cl- 2. Molecular Physics, 69. 549-557 doi:10.1080/00268979000100391
Grein, Friedrich (2021) Dimers and trimers of HF, H2O, NH3 and CH4 with N2. Ab initio studies on structures and vibrational frequencies. Molecular Physics, 119 (8) doi:10.1080/00268976.2021.1878303
Grein, Friedrich (2021) Theoretical studies on complexes with ammonia: comparison with H2O complexes: hydrogen bonding. Molecular Physics, 119 (12) doi:10.1080/00268976.2021.1938268
Fernández, Berta, Henriksen, Christian, Farrelly, David (2013) Refined ab initio intermolecular ground-state potential energy surface for the He–C2H2 van der Waals complex. Molecular Physics, 111. 1173-1177 doi:10.1080/00268976.2013.793837
Han, Jianing (2020) Six-body van der Waals interactions. Molecular Physics, 118. doi:10.1080/00268976.2019.1584683
Ai Nhung, Nguyen Thi, Tat, Pham Van (2020) Calculation of thermodynamic properties of vapor–liquid equilibria using ab initio intermolecular potential energy surfaces for dimer O2–O2. Molecular Physics, 118 (16) doi:10.1080/00268976.2020.1736673
Wang, Xiao-Gang, Carrington, Tucker (2019) Using quadrature and an iterative eigensolver to compute fine-structure ro-vibrational levels of Van der Waals complexes: NH(Σ−3)–He, O2(Σg−3)–Ar, and O2(Σg−3)–He. The Journal of Chemical Physics, 151 (5). 54101pp. doi:10.1063/1.5110873
Orek, Cahit, Kłos, Jacek, Lique, François, Bulut, Niyazi (2016) Ab initio studies of the Rg–NO+(X1Σ+) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe). The Journal of Chemical Physics, 144 (20). 204303pp. doi:10.1063/1.4950813
 
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