The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface (English)
- New search for: Zhang, Xiao-Long
- New search for: Zhang, Xiao-Long
- New search for: Li, Hui
- New search for: Hou, Dan
- New search for: Ma, Yong-Tao
In:
The journal of chemical physics
;
144
, 1
;
2016
-
ISSN:
- Article (Journal) / Print
-
Title:The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface
-
Contributors:
-
Published in:The journal of chemical physics ; 144, 1
-
Publisher:
- New search for: AIP
-
Place of publication:Melville, NY
-
Publication date:2016
-
ISSN:
-
ZDBID:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
- New search for: 35.10
- Further information on Basic classification
-
Keywords:
-
Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 144, Issue 1
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.
-
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structuresTsuchimochi, Takashi / Ten-no, Seiichiro 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
-
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
-
Rotating effects on the Landau quantization for an atom with a magnetic quadrupole momentFonseca, I. C. / Bakke, K. 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
-
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
-
Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaFDemmel, F. / Mukhopadhyay, S. 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
-
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
-
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
-
Energy barriers for dipole moment flipping in PVDF-related ferroelectric polymersYu, Ying-Ju / McGaughey, Alan J. H. 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
-
On the wettability transparency of graphene-coated silicon surfacesRamos-Alvarado, Bladimir / Kumar, Satish / Peterson, G. P. 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
-
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
-
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