Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A'') electronic state (English)
- New search for: Sugata Goswami
- New search for: Sugata Goswami
- New search for: B Bussery-Honvault
- New search for: P Honvault
- New search for: S Mahapatra
In:
Molecular physics
;
115
, 21-22
; 2658
;
2017
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ISSN:
- Article (Journal) / Print
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Title:Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A'') electronic state
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Contributors:
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Published in:Molecular physics ; 115, 21-22 ; 2658
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Publisher:
- New search for: Taylor & Francis
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Place of publication:London
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Publication date:2017
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10 / 33.30 / 42.12
- Further information on Basic classification
- New search for: 275/3465
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Keywords:
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Source:
Table of contents – Volume 115, Issue 21-22
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2649
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Potential energy curves of the Na2+ molecular ion from all-electron ab initio relativistic calculationsBewicz, Anna / Musiał, Monika / Kucharski, Stanisław A. et al. | 2017
- 2627
-
ForewordPal, Sourav / Helgaker, Trygve / Savin, Andreas et al. | 2017
- 2629
-
Different approaches to the coupled-cluster method and related ways of solving the coupled-cluster equationsMeissner, Leszek et al. | 2017
- 2637
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How different is the borazine–acetylene dimer from the benzene–acetylene dimer? A matrix isolation infrared and ab initio quantum chemical studyVerma, Kanupriya / Viswanathan, K.S. / Majumder, Moumita / Sathyamurthy, N. et al. | 2017
- 2649
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Potential energy curves of the NaBewicz, Anna et al. | 2017
- 2658
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Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A″) electronic stateGoswami, Sugata / Bussery-Honvault, B. / Honvault, P. / Mahapatra, S. et al. | 2017
- 2673
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Attenuated coupled cluster: a heuristic polynomial similarity transformation incorporating spin symmetry projection into traditional coupled cluster theoryGomez, John A. / Henderson, Thomas M. / Scuseria, Gustavo E. et al. | 2017
- 2684
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Natural molecular orbitals: limits of a Lowdin's conjectureSuaud, Nicolas / Malrieu, Jean-Paul et al. | 2017
- 2696
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Further development of SDSPT2 for strongly correlated electronsLei, Yibo / Liu, Wenjian / Hoffmann, Mark R. et al. | 2017
- 2708
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Explicit hydration of ammonium ion by correlated methods employing molecular tailoring approachSingh, Gurmeet / Verma, Rahul / Wagle, Swapnil / Gadre, Shridhar R. et al. | 2017
- 2721
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Excited state properties of 5-formylcytosine and 5-hydroxymethylcytosineMato, Joani / Keipert, Kristopher / Gordon, Mark S. et al. | 2017
- 2731
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Ring coupled-cluster doubles correction to geminal wavefunctionsSzabados, Ágnes / Margócsy, Ádám et al. | 2017
- 2743
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A MRCC study of the isomerisation of cyclopropaneLang, Jakub / Švaňa, Matej / Demel, Ondřej / Brabec, Jiri / Kedžuch, Stanislav / Noga, Jozef / Kowalski, Karol / Pittner, Jiří et al. | 2017
- 2755
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Raman spectral calculation by vibrational coupled-cluster method in bosonic representationBanik, Subrata / Ravichandran, Lalitha / Durga Prasad, M. et al. | 2017
- 2765
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Relativistic coupled-cluster analysis of parity nonconserving amplitudes and related properties of the 6s2 S1/2 − 5d2 D3/2; 5/2 transitions in 133CsSahoo, B. K. / Das, B. P. et al. | 2017
- 2775
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Quasi-relativistic two-component computations of intermolecular dispersion energiesHolzer, Christof / Klopper, Wim et al. | 2017
- 2782
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Positional selectivity in the interaction of toluene with nitronium ionGalabov, Boris / Koleva, Gergana / Schaefer, Henry F. et al. | 2017
- 2789
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Description of C2 dissociation using a naive treatment of dynamical correlation in the presence of quasidegeneracy of varying degreeSinha Ray, Suvonil / Manna, Shovan / Chaudhuri, Rajat K. / Chattopadhyay, Sudip et al. | 2017
- 2789
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Description of CSinha Ray, Suvonil et al. | 2017
- 2807
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Electron–nucleus scalar–pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster frameworkSasmal, Sudip / Talukdar, Kaushik / Nayak, Malaya K. / Vaval, Nayana / Pal, Sourav et al. | 2017
- 2813
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Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approachBeckett, Daniel / Krukau, Aliaksandr / Raghavachari, Krishnan et al. | 2017
- 2823
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Excited states manifold of 2,2′-bithiophene: basis set dependence studyAndrzejak, Marcin / Kukułka, Mercedes / Witek, Henryk A. et al. | 2017
- 2833
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An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radicalMukherjee, Bijit / Mukherjee, Saikat / Sardar, Subhankar / Shamasundar, K. R. / Adhikari, Satrajit et al. | 2017
- 2849
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Modelling magnetic anisotropy of single-chain magnets in |d/J| ≥ 1 regimeHaldar, Sumit / Raghunathan, Rajamani / Sutter, Jean-Pascal / Ramasesha, S. et al. | 2017
- 2860
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Combining active-space coupled-cluster approaches with moment energy corrections via the CC(P;Q) methodology: connected quadruple excitationsBauman, Nicholas P. / Shen, Jun / Piecuch, Piotr et al. | 2017
- 2892
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L1-regularisation of the coupled-cluster solutionsIvanov, Vladimir V. / Berdnyk, Mykhailo I. / Adamowicz, Ludwik et al. | 2017
- 2892
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LIvanov, Vladimir V et al. | 2017
- ebi
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Editorial Board| 2017