Structural and magnetic properties of FeGen−/0 (n = 3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculations (English)
- New search for: Deng, Xiao-Jiao
- New search for: Kong, Xiang-Yu
- New search for: Liang, Xiaoqing
- New search for: Yang, Bin
- New search for: Xu, Hong-Guang
- New search for: Xu, Xi-Ling
- New search for: Feng, Gang
- New search for: Zheng, Wei-Jun
- New search for: Deng, Xiao-Jiao
- New search for: Kong, Xiang-Yu
- New search for: Liang, Xiaoqing
- New search for: Yang, Bin
- New search for: Xu, Hong-Guang
- New search for: Xu, Xi-Ling
- New search for: Feng, Gang
- New search for: Zheng, Wei-Jun
In:
The Journal of Chemical Physics
;
147
, 23
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7
;
2017
- Article (Journal) / Electronic Resource
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Title:Structural and magnetic properties of FeGen−/0 (n = 3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculations
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Additional title:Deng et al.
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Contributors:Deng, Xiao-Jiao ( author ) / Kong, Xiang-Yu ( author ) / Liang, Xiaoqing ( author ) / Yang, Bin ( author ) / Xu, Hong-Guang ( author ) / Xu, Xi-Ling ( author ) / Feng, Gang ( author ) / Zheng, Wei-Jun ( author )
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Published in:The Journal of Chemical Physics ; 147, 23 ; 7
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2017-12-21
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Size:7 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 147, Issue 23
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.
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Charge transport and dipolar relaxations in phosphonium-based ionic liquidsCosby, Tyler / Vicars, Zachariah / Mapesa, Emmanuel Urandu / Tsunashima, Katsuhiko / Sangoro, Joshua et al. | 2017
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Molecular geometries and other properties of H2O⋯AgI and H3N⋯AgI as characterised by rotational spectroscopy and ab initio calculationsMedcraft, Chris / Gougoula, Eva / Bittner, Dror M. / Mullaney, John C. / Blanco, Susana / Tew, David P. / Walker, Nicholas R. / Legon, Anthony C. et al. | 2017
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Anisotropic stress inhibits crystallization in Cu–Zr glass-forming liquidsPang, H. H. / Bi, Q. L. / Huang, H. S. / Lü, Y. J. et al. | 2017
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A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applicationsPathak, Shubhrodeep / Lang, Lucas / Neese, Frank et al. | 2017
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Channel branching ratios in CH2CN− photodetachment: Rotational structure and vibrational energy redistribution in autodetachmentLyle, Justin / Wedig, Olivia / Gulania, Sahil / Krylov, Anna I. / Mabbs, Richard et al. | 2017
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Electron detachment of hydrogen anion in collisions with hydrogen molecule studied by surface hopping classical trajectory calculationsBelyaev, A. K. / Tiukanov, A. S. / Toropkin, A. I. / Alexandrovich, O. V. et al. | 2017
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Structural and magnetic properties of FeGen−/0 (n = 3-12) clusters: Mass-selected anion photoelectron spectroscopy and density functional theory calculationsDeng, Xiao-Jiao / Kong, Xiang-Yu / Liang, Xiaoqing / Yang, Bin / Xu, Hong-Guang / Xu, Xi-Ling / Feng, Gang / Zheng, Wei-Jun et al. | 2017
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Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCHCheng, Qianyi / Fortenberry, Ryan C. / DeYonker, Nathan J. et al. | 2017
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Nonperturbative response functions: A tool for the interpretation of four-wave-mixing signals beyond third orderChen, Lipeng / Palacino-González, Elisa / Gelin, Maxim F. / Domcke, Wolfgang et al. | 2017
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Structural origin of hardness decrease in irradiated sodium borosilicate glassYuan, Wei / Peng, Haibo / Sun, Mengli / Du, Xin / Lv, Peng / Zhao, Yan / Liu, Fengfei / Zhang, Bingtao / Zhang, Xiaoyang / Chen, Liang et al. | 2017
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Applicability of transfer tensor method for open quantum system dynamicsGelzinis, Andrius / Rybakovas, Edvardas / Valkunas, Leonas et al. | 2017
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Diffusion and interactions of interstitials in hard-sphere interstitial solid solutionsvan der Meer, Berend / Lathouwers, Emma / Smallenburg, Frank / Filion, Laura et al. | 2017
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Reliability assessment for large-scale molecular dynamics approximationsGrogan, Francesca / Holst, Michael / Lindblom, Lee / Amaro, Rommie et al. | 2017
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A neural-network potential through charge equilibration for WS2: From clusters to sheetsHafizi, Roohollah / Ghasemi, S. Alireza / Hashemifar, S. Javad / Akbarzadeh, Hadi et al. | 2017
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Electronic structure of SmO and SmO− via slow photoelectron velocity-map imaging spectroscopy and spin-orbit CASPT2 calculationsWeichman, Marissa L. / Vlaisavljevich, Bess / DeVine, Jessalyn A. / Shuman, Nicholas S. / Ard, Shaun G. / Shiozaki, Toru / Neumark, Daniel M. / Viggiano, Albert A. et al. | 2017
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Dissociative electron attachment to 2,4,6-trichloroanisole and 2,4,6-tribromoanisole moleculesAsfandiarov, N. L. / Muftakhov, M. V. / Pshenichnyuk, S. A. / Papp, P. / Danko, M. / Lacko, M. / Blaško, J. / Matejčik, Š. / Modelli, A. et al. | 2017
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From properties to materials: An efficient and simple approachHuwig, Kai / Fan, Chencheng / Springborg, Michael et al. | 2017
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Multivariable extrapolation of grand canonical free energy landscapesMahynski, Nathan A. / Errington, Jeffrey R. / Shen, Vincent K. et al. | 2017
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Assessment by Monte Carlo computer simulations of the phase behavior of hard spherocylinders confined within cylindrical cavitiesViveros-Méndez, Perla X. / Gil-Villegas, Alejandro / Aranda Espinoza, Said et al. | 2017
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Self-consistent assessment of Englert-Schwinger model on atomic propertiesLehtomäki, Jouko / Lopez-Acevedo, Olga et al. | 2017
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Comparison of two protic ionic liquid behaviors in the presence of an electric field using molecular dynamicsMehta, Neil A. / Levin, Deborah A. et al. | 2017
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Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysisWang, Ting / Plecháč, Petr et al. | 2017
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Novel rubidium poly-nitrogen materials at high pressureWilliams, Ashley S. / Steele, Brad A. / Oleynik, Ivan I. et al. | 2017
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Connecting structurally and dynamically detected signatures of supramolecular Debye liquidsBüning, T. / Lueg, J. / Bolle, J. / Sternemann, C. / Gainaru, C. / Tolan, M. / Böhmer, R. et al. | 2017
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Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulationsHatch, Harold W. / Jiao, Sally / Mahynski, Nathan A. / Blanco, Marco A. / Shen, Vincent K. et al. | 2017
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A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transferPierre, Sadrach / Duke, Jessica R. / Hele, Timothy J. H. / Ananth, Nandini et al. | 2017
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Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulationsPetsev, Nikolai D. / Leal, L. Gary / Shell, M. Scott et al. | 2017
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Absolute vibrational excitation cross sections for 1-18 eV electron scattering from condensed dimethyl phosphate (DMP)Lemelin, V. / Bass, A. D. / Wagner, J. R. / Sanche, L. et al. | 2017
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Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov statesFujihashi, Yuta / Wang, Lu / Zhao, Yang et al. | 2017
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Photodissociation of van der Waals complexes of iodine X–I2 (X = I2, C2H4) via charge-transfer state: A velocity map imaging investigationBogomolov, Alexandr S. / Goldort, Veniamin G. / Kochubei, Sergei A. / Baklanov, Alexey V. et al. | 2017
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Mesoscopic-microscopic spatial stochastic simulation with automatic system partitioningHellander, Stefan / Hellander, Andreas / Petzold, Linda et al. | 2017
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Structure, spectroscopy, and dynamics of the phenol-(water)2 cluster at low and high temperaturesSamala, Nagaprasad Reddy / Agmon, Noam et al. | 2017
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Molecular characteristics of stress overshoot for polymer melts under start-up shear flowJeong, Sohdam / Kim, Jun Mo / Baig, Chunggi et al. | 2017
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Mean field theory of the swap Monte Carlo algorithmIkeda, Harukuni / Zamponi, Francesco / Ikeda, Atsushi et al. | 2017
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Communication: Spectroscopic characterization of a strongly interacting C(2)H group on the EMIM+ cation in the (EMIM+)2X− (X = BF4, Cl, Br, and I) ternary building blocks of ionic liquidsGorlova, Olga / Craig, Stephanie M. / Johnson, Mark A. et al. | 2017