The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface (Englisch)
- Neue Suche nach: Hou, Dan
- Neue Suche nach: Ma, Yong-Tao
- Neue Suche nach: Zhang, Xiao-Long
- Neue Suche nach: Li, Hui
- Neue Suche nach: Hou, Dan
- Neue Suche nach: Ma, Yong-Tao
- Neue Suche nach: Zhang, Xiao-Long
- Neue Suche nach: Li, Hui
In:
The Journal of Chemical Physics
;
144
, 1
;
12
;
2016
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface
-
Beteiligte:Hou, Dan ( Autor:in ) / Ma, Yong-Tao ( Autor:in ) / Zhang, Xiao-Long ( Autor:in ) / Li, Hui ( Autor:in )
-
Erschienen in:The Journal of Chemical Physics ; 144, 1 ; 12
-
Verlag:
- Neue Suche nach: AIP Publishing LLC
-
Erscheinungsdatum:07.01.2016
-
Format / Umfang:12 pages
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 144, Ausgabe 1
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.
-
Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membraneLee, Ming-Tsung / Vishnyakov, Aleksey / Neimark, Alexander V. et al. | 2016
-
Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systemsMa, Xiaoyao / Hall, Randall W. / Löffler, Frank / Kowalski, Karol / Bhaskaran-Nair, Kiran / Jarrell, Mark / Moreno, Juana et al. | 2016
-
Phase-only laser control in the weak-field limit: Two-pulse control of IBr photofragmentation revisitedTiwari, Ashwani K. / Henriksen, Niels E. et al. | 2016
-
Reaction paths of phosphine dissociation on silicon (001)Warschkow, O. / Curson, N. J. / Schofield, S. R. / Marks, N. A. / Wilson, H. F. / Radny, M. W. / Smith, P. V. / Reusch, T. C. G. / McKenzie, D. R. / Simmons, M. Y. et al. | 2016
-
Energy barriers for dipole moment flipping in PVDF-related ferroelectric polymersYu, Ying-Ju / McGaughey, Alan J. H. et al. | 2016
-
Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systemsCasanova, David / Krylov, Anna I. et al. | 2016
-
The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surfaceHou, Dan / Ma, Yong-Tao / Zhang, Xiao-Long / Li, Hui et al. | 2016
-
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environmentsFisicaro, G. / Genovese, L. / Andreussi, O. / Marzari, N. / Goedecker, S. et al. | 2016
-
Prediction of binary nanoparticle superlattices from soft potentialsHorst, Nathan / Travesset, Alex et al. | 2016
-
Oscillatory reaction cross sections caused by normal mode sampling in quasiclassical trajectory calculationsNagy, Tibor / Vikár, Anna / Lendvay, György et al. | 2016
-
Manipulation of a neutral and nonpolar nanoparticle in water using a nonuniform electric fieldXu, Zhen / Wang, Chunlei / Sheng, Nan / Hu, Guohui / Zhou, Zhewei / Fang, Haiping et al. | 2016
-
Substituent effects on dynamics at conical intersections: Allene and methyl allenesNeville, Simon P. / Wang, Yanmei / Boguslavskiy, Andrey E. / Stolow, Albert / Schuurman, Michael S. et al. | 2016
-
Observations of the high vibrational levels of the state of H2Chartrand, A. M. / Duan, W. / Ekey, R. C. / McCormack, E. F. et al. | 2016
-
Confinement and diffusion modulate bistability and stochastic switching in a reaction network with positive feedbackMlynarczyk, Paul J. / Pullen, Robert H. / Abel, Steven M. et al. | 2016
-
Application of a convergent, composite coupled cluster approach to bound state, adiabatic electron affinities in atoms and small moleculesFeller, David et al. | 2016
-
Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibersXu, Wenxiang / Wang, Han / Niu, Yanze / Bai, Jingtao et al. | 2016
-
IR-induced conformational isomerization of a helical peptide in a cold ion trapSeaiby, Caroline / Zabuga, Aleksandra V. / Svendsen, Annette / Rizzo, Thomas R. et al. | 2016
-
Pyridine on flat Pt(111) and stepped Pt(355)—An in situ HRXPS investigation of adsorption and thermal evolutionWöckel, Claudia / Eilert, Andrè / Welke, Martin / Schöppke, Matthias / Steinrück, Hans-Peter / Denecke, Reinhard et al. | 2016
-
Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaFDemmel, F. / Mukhopadhyay, S. et al. | 2016
-
On the wettability transparency of graphene-coated silicon surfacesRamos-Alvarado, Bladimir / Kumar, Satish / Peterson, G. P. et al. | 2016
-
Rotating effects on the Landau quantization for an atom with a magnetic quadrupole momentFonseca, I. C. / Bakke, K. et al. | 2016
-
Some considerations on the transport properties of water-glycerol suspensionsMallamace, Francesco / Corsaro, Carmelo / Mallamace, Domenico / Vasi, Sebastiano / Vasi, Cirino / Stanley, H. Eugene et al. | 2016
-
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structuresTsuchimochi, Takashi / Ten-no, Seiichiro et al. | 2016
-
Binding of ACE-inhibitors to in vitro and patient-derived amyloid-β fibril modelsBhavaraju, Manikanthan / Phillips, Malachi / Bowman, Deborah / Aceves-Hernandez, Juan M. / Hansmann, Ulrich H. E. et al. | 2016
-
Softness and non-spherical shape define the phase behavior and the structural properties of lysozyme in aqueous solutionsBaumketner, A. / Melnyk, R. / Holovko, M. F. / Cai, W. / Costa, D. / Caccamo, C. et al. | 2016
-
Involvement of a low-lying Rydberg state in the ultrafast relaxation dynamics of ethyleneChampenois, Elio G. / Shivaram, Niranjan H. / Wright, Travis W. / Yang, Chan-Shan / Belkacem, Ali / Cryan, James P. et al. | 2016
-
Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics studyWu, Guorong / Neville, Simon P. / Schalk, Oliver / Sekikawa, Taro / Ashfold, Michael N. R. / Worth, Graham A. / Stolow, Albert et al. | 2016
-
Theoretical prediction of the band offsets at the ZnO/anatase TiO2 and GaN/ZnO heterojunctions using the self-consistent ab initio DFT/GGA-1/2 methodFang, D. Q. / Zhang, S. L. et al. | 2016