Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A'') electronic state (Englisch)
- Neue Suche nach: Sugata Goswami
- Neue Suche nach: Sugata Goswami
- Neue Suche nach: B Bussery-Honvault
- Neue Suche nach: P Honvault
- Neue Suche nach: S Mahapatra
In:
Molecular physics
;
115
, 21-22
; 2658
;
2017
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A'') electronic state
-
Beteiligte:
-
Erschienen in:Molecular physics ; 115, 21-22 ; 2658
-
Verlag:
- Neue Suche nach: Taylor & Francis
-
Erscheinungsort:London
-
Erscheinungsdatum:2017
-
ISSN:
-
ZDBID:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Englisch
- Neue Suche nach: 35.10 / 33.30 / 42.12
- Weitere Informationen zu Basisklassifikation
- Neue Suche nach: 275/3465
-
Schlagwörter:
-
Klassifikation:
-
Datenquelle:
Inhaltsverzeichnis – Band 115, Ausgabe 21-22
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 2649
-
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
-
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
-
Potential energy curves of the NaBewicz, Anna et al. | 2017
- 2658
-
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
-
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
-
Natural molecular orbitals: limits of a Lowdin's conjectureSuaud, Nicolas / Malrieu, Jean-Paul et al. | 2017
- 2696
-
Further development of SDSPT2 for strongly correlated electronsLei, Yibo / Liu, Wenjian / Hoffmann, Mark R. et al. | 2017
- 2708
-
Explicit hydration of ammonium ion by correlated methods employing molecular tailoring approachSingh, Gurmeet / Verma, Rahul / Wagle, Swapnil / Gadre, Shridhar R. et al. | 2017
- 2721
-
Excited state properties of 5-formylcytosine and 5-hydroxymethylcytosineMato, Joani / Keipert, Kristopher / Gordon, Mark S. et al. | 2017
- 2731
-
Ring coupled-cluster doubles correction to geminal wavefunctionsSzabados, Ágnes / Margócsy, Ádám et al. | 2017
- 2743
-
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
-
Raman spectral calculation by vibrational coupled-cluster method in bosonic representationBanik, Subrata / Ravichandran, Lalitha / Durga Prasad, M. et al. | 2017
- 2765
-
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
-
Quasi-relativistic two-component computations of intermolecular dispersion energiesHolzer, Christof / Klopper, Wim et al. | 2017
- 2782
-
Positional selectivity in the interaction of toluene with nitronium ionGalabov, Boris / Koleva, Gergana / Schaefer, Henry F. et al. | 2017
- 2789
-
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
-
Description of CSinha Ray, Suvonil et al. | 2017
- 2807
-
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
-
Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approachBeckett, Daniel / Krukau, Aliaksandr / Raghavachari, Krishnan et al. | 2017
- 2823
-
Excited states manifold of 2,2′-bithiophene: basis set dependence studyAndrzejak, Marcin / Kukułka, Mercedes / Witek, Henryk A. et al. | 2017
- 2833
-
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
-
Modelling magnetic anisotropy of single-chain magnets in |d/J| ≥ 1 regimeHaldar, Sumit / Raghunathan, Rajamani / Sutter, Jean-Pascal / Ramasesha, S. et al. | 2017
- 2860
-
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
-
L1-regularisation of the coupled-cluster solutionsIvanov, Vladimir V. / Berdnyk, Mykhailo I. / Adamowicz, Ludwik et al. | 2017
- 2892
-
LIvanov, Vladimir V et al. | 2017
- ebi
-
Editorial Board| 2017