登录注册
Quick Links : Mindat手册The Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
主页关于 MindatMindat手册Mindat的历史版权Who We Are联系我们于 Mindat.org刊登广告
捐赠给 MindatCorporate Sponsorship赞助板页已赞助的板页在 Mindat刊登 广告的广告商于 Mindat.org刊登广告
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
搜索矿物的性质搜索矿物的化学Mineral Visual ExplorerAdvanced Locality Search随意显示任何一 种矿物Random Locality使用minID搜索邻近产地Search Articles搜索词汇表更多搜索选项
搜索:
矿物名称:
地区产地名称:
关键字:
 
Mindat手册添加新照片Rate Photos产区编辑报告Coordinate Completion Report添加词汇表项目
Mining Companies统计会员列表Mineral MuseumsClubs & Organizations矿物展及活动The Mindat目录表设备设置The Mineral QuizTime Machine
照片搜索Photo GalleriesSearch by ColorPhoto Colour Explorer今天最新的照片昨天最新的照片用户照片相集过去每日精选照片相集Photography

(2013, November) The Journal of Chemical Physics Vol. 139 (17) AIP Publishing

Advanced
   -   Only viewable:
Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2013 (November)Volume139
Issue<   17   >
PublisherAIP Publishing
Mindat Ref. ID2363556Long-form Identifiermindat:1:5:2363556:2
GUID0
Full Reference(2013, November) The Journal of Chemical Physics Vol. 139 (17) AIP Publishing
Plain Text(2013, November) The Journal of Chemical Physics Vol. 139 (17) AIP Publishing
In(2013) The Journal of Chemical Physics Vol. 139. AIP Publishing

Contains

Ingebrigtsen, Trond S., Veldhorst, Arno A., Schrøder, Thomas B., Dyre, Jeppe C. (2013) Communication: The Rosenfeld-Tarazona expression for liquids’ specific heat: A numerical investigation of eighteen systems. The Journal of Chemical Physics, 139 (17). 171101pp. doi:10.1063/1.4827865
Shuman, Nicholas S., Miller, Thomas M., Johnsen, Rainer, Viggiano, Albert A. (2013) Communication: Transfer ionization in a thermal reaction of a cation and anion: Ar+ with Br− and I−. The Journal of Chemical Physics, 139 (17). 171102pp. doi:10.1063/1.4828455
Bates, Jefferson E., Furche, Filipp (2013) Communication: Random phase approximation renormalized many-body perturbation theory. The Journal of Chemical Physics, 139 (17). 171103pp. doi:10.1063/1.4827254
García-Fernández, Pablo, Andjelković, Ljubica, Zlatar, Matija, Gruden-Pavlović, Maja, Dreuw, Andreas (2013) A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory. The Journal of Chemical Physics, 139 (17). 174101pp. doi:10.1063/1.4827398
Parrish, Robert M., Hohenstein, Edward G., Sherrill, C. David (2013) Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations. The Journal of Chemical Physics, 139 (17). 174102pp. doi:10.1063/1.4826520
Verma, Prakash, Perera, Ajith, Morales, Jorge A. (2013) Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals. The Journal of Chemical Physics, 139 (17). 174103pp. doi:10.1063/1.4827298
Yost, Shane R., Kowalczyk, Tim, Van Voorhis, Troy (2013) A multireference perturbation method using non-orthogonal Hartree-Fock determinants for ground and excited states. The Journal of Chemical Physics, 139 (17). 174104pp. doi:10.1063/1.4827456
Viswanath, Shruthi, Kreuzer, Steven M., Cardenas, Alfredo E., Elber, Ron (2013) Analyzing milestoning networks for molecular kinetics: Definitions, algorithms, and examples. The Journal of Chemical Physics, 139 (17). 174105pp. doi:10.1063/1.4827495
Su, Neil Qiang, Adamo, Carlo, Xu, Xin (2013) A comparison of geometric parameters from PBE-based doubly hybrid density functionals PBE0-DH, PBE0-2, and xDH-PBE0. The Journal of Chemical Physics, 139 (17). 174106pp. doi:10.1063/1.4827024
Fukuda, Ikuo (2013) Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system. The Journal of Chemical Physics, 139 (17). 174107pp. doi:10.1063/1.4827055
Semenov, Alexander, Babikov, Dmitri (2013) Mixed quantum/classical theory of rotationally and vibrationally inelastic scattering in space-fixed and body-fixed reference frames. The Journal of Chemical Physics, 139 (17). 174108pp. doi:10.1063/1.4827256
Wang, Linjun, Akimov, Alexey V., Chen, Liping, Prezhdo, Oleg V. (2013) Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals. The Journal of Chemical Physics, 139 (17). 174109pp. doi:10.1063/1.4828863
Yang, Yang, van Aggelen, Helen, Steinmann, Stephan N., Peng, Degao, Yang, Weitao (2013) Benchmark tests and spin adaptation for the particle-particle random phase approximation. The Journal of Chemical Physics, 139 (17). 174110pp. doi:10.1063/1.4828728
Xu, Enhua, Li, Shuhua (2013) Block correlated second order perturbation theory with a generalized valence bond reference function. The Journal of Chemical Physics, 139 (17). 174111pp. doi:10.1063/1.4828739
Zhai, Hua-Jin, Chen, Qiang, Bai, Hui, Lu, Hai-Gang, Li, Wei-Li, Li, Si-Dian, Wang, Lai-Sheng (2013) Pi and sigma double conjugations in boronyl polyboroene nanoribbons: Bn(BO)2− and Bn(BO)2 (n = 5−12). The Journal of Chemical Physics, 139 (17). 174301pp. doi:10.1063/1.4827501
Bera, Partha P., Head-Gordon, Martin, Lee, Timothy J. (2013) Relative energies, structures, vibrational frequencies, and electronic spectra of pyrylium cation, an oxygen-containing carbocyclic ring isoelectronic with benzene, and its isomers. The Journal of Chemical Physics, 139 (17). 174302pp. doi:10.1063/1.4826138
El-Khoury, Patrick Z., Bylaska, Eric J., Hess, Wayne P. (2013) Time domain simulations of chemical bonding effects in surface-enhanced spectroscopy. The Journal of Chemical Physics, 139 (17). 174303pp. doi:10.1063/1.4827455
Rakcheeva, L. P., Serdobintsev, P. Yu., Belyaeva, A. A., Shevkunov, I. A., Melnikov, A. S., Nakozina, A. A., Pastor, A. A., Khodorkovskii, M. A. (2013) Mass-resolved two-photon and photoelectron spectra of ArXe in the region of Xe* 7p, 6p′, 6d. The Journal of Chemical Physics, 139 (17). 174304pp. doi:10.1063/1.4827476
Zhang, Dongwen, Chen, Bo-Zhen, Huang, Ming-Bao, Meng, Qingyong, Tian, Zhiyuan (2013) Photodissociation mechanisms of the CO22+ dication studied using multi-state multiconfiguration second-order perturbation theory. The Journal of Chemical Physics, 139 (17). 174305pp. doi:10.1063/1.4827075
Grimminger, Robert, Clouthier, Dennis J., Tarroni, Riccardo, Wang, Zhong, Sears, Trevor J. (2013) An experimental and theoretical study of the electronic spectrum of HPS, a second row HNO analog. The Journal of Chemical Physics, 139 (17). 174306pp. doi:10.1063/1.4827099
Chavira-Quintero, R., Guirado-López, R. A. (2013) Thiol-based molecular overlayers adsorbed on C60: Role of the end-group and charge state on the stability of the complexes. The Journal of Chemical Physics, 139 (17). 174307pp. doi:10.1063/1.4827257
Leal, Antonio, Mateo, David, Pi, Martí, Barranco, Manuel, Navarro, Jesús (2013) The structure of mixed 3He-4He droplets doped with OCS: A density functional approach. The Journal of Chemical Physics, 139 (17). 174308pp. doi:10.1063/1.4827499
Ge, Gui-Xian, Han, Yan, Wan, Jian-Guo, Zhao, Ji-Jun, Wang, Guang-Hou (2013) First-principles prediction of magnetic superatoms in 4d-transition-metal-doped magnesium clusters. The Journal of Chemical Physics, 139 (17). 174309pp. doi:10.1063/1.4827515
(2013) Benzene analogues of (quasi-)planar M@BnHn compounds (M = V−, Cr, Mn+): A theoretical investigation. The Journal of Chemical Physics, 139 (17). 174310pp. doi:10.1063/1.4827517
Tanimura, Shinobu, Pathak, Harshad, Wyslouzil, Barbara E. (2013) Binary nucleation rates for ethanol/water mixtures in supersonic Laval nozzles: Analyses by the first and second nucleation theorems. The Journal of Chemical Physics, 139 (17). 174311pp. doi:10.1063/1.4826652
León, Iker, Montero, Raúl, Longarte, Asier, Fernández, José A. (2013) IR mass-resolved spectroscopy of complexes without chromophore: Cyclohexanol·(H2O)n, n = 1–3 and cyclohexanol dimer. The Journal of Chemical Physics, 139 (17). 174312pp. doi:10.1063/1.4827110
Yaghlane, Saida Ben, Cotton, C. Eric, Francisco, Joseph S., Linguerri, Roberto, Hochlaf, Majdi (2013) Ab initio structural and spectroscopic study of HPSx and HSPx (x = 0,+1,−1) in the gas phase. The Journal of Chemical Physics, 139 (17). 174313pp. doi:10.1063/1.4827520
Suzuki, Isao H., Endo, Hikari, Nagai, Kanae, Takahashi, Osamu, Tamenori, Yusuke, Nagaoka, Shin-ichi (2013) Site-dependent Si KL23L23 resonant Auger electron spectra following inner-shell excitation of Cl3SiSi(CH3)3. The Journal of Chemical Physics, 139 (17). 174314pp. doi:10.1063/1.4827860
Videla, Pablo E., Rossky, Peter J., Laria, D. (2013) Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures. The Journal of Chemical Physics, 139 (17). 174315pp. doi:10.1063/1.4827935
Banerjee, Jayita, Rahmlow, David, Carollo, Ryan, Bellos, Michael, Eyler, Edward E., Gould, Phillip L., Stwalley, William C. (2013) Spectroscopy and applications of the 3 3Σ+ electronic state of 39K85Rb. The Journal of Chemical Physics, 139 (17). 174316pp. doi:10.1063/1.4826653
Lee, Shih-Huang, Chen, Wei-Kan, Chin, Chih-Hao, Huang, Wen-Jian (2013) Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of3P atomic carbon with propene. The Journal of Chemical Physics, 139 (17). 174317pp. doi:10.1063/1.4828842
Wang, Fang, Steimle, Timothy C., Adam, Allan G., Cheng, Lan, Stanton, John F. (2013) The pure rotational spectrum of ruthenium monocarbide, RuC, and relativisticab initiopredictions. The Journal of Chemical Physics, 139 (17). 174318pp. doi:10.1063/1.4828458
Gohr, Sebastian, Grimme, Stefan, Söhnel, Tilo, Paulus, Beate, Schwerdtfeger, Peter (2013) Pressure dependent stability and structure of carbon dioxide—A density functional study including long-range corrections. The Journal of Chemical Physics, 139 (17). 174501pp. doi:10.1063/1.4826929
Janeček, Jiří, Paricaud, Patrice (2013) Size distribution of associated clusters in liquid alcohols: Interpretation of simulation results in the frame of SAFT approach. The Journal of Chemical Physics, 139 (17). 174502pp. doi:10.1063/1.4827107
Ricci, Francesco, Stillinger, Frank H., Debenedetti, Pablo G. (2013) A computational investigation of attrition-enhanced chiral symmetry breaking in conglomerate crystals. The Journal of Chemical Physics, 139 (17). 174503pp. doi:10.1063/1.4827478
Tsuzuki, Seiji, Shinoda, Wataru, Miran, Md. Shah, Kinoshita, Hiroshi, Yasuda, Tomohiro, Watanabe, Masayoshi (2013) Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids. The Journal of Chemical Physics, 139 (17). 174504pp. doi:10.1063/1.4827519
Barros, Kipton, Klein, W. (2013) Liquid to solid nucleation via onion structure droplets. The Journal of Chemical Physics, 139 (17). 174505pp. doi:10.1063/1.4827884
Reinsch, S., Müller, R., Deubener, J., Behrens, H. (2013) Internal friction of hydrated soda-lime-silicate glasses. The Journal of Chemical Physics, 139 (17). 174506pp. doi:10.1063/1.4828740
Hofmann, Oliver T., Deinert, Jan-Christoph, Xu, Yong, Rinke, Patrick, Stähler, Julia, Wolf, Martin, Scheffler, Matthias (2013) Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(101¯0). The Journal of Chemical Physics, 139 (17). 174701pp. doi:10.1063/1.4827017
Hu, Ting, Li, Rui, Dong, Jinming (2013) A new (2 × 1) dimerized structure of monolayer 1T-molybdenum disulfide, studied from first principles calculations. The Journal of Chemical Physics, 139 (17). 174702pp. doi:10.1063/1.4827082
Erikat, I. A., Hamad, B. A. (2013) A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface. The Journal of Chemical Physics, 139 (17). 174703pp. doi:10.1063/1.4827516
Kraszewski, S., Duverger, E., Ramseyer, C., Picaud, F. (2013) Theoretical study of amino derivatives and anticancer platinum drug grafted on various carbon nanostructures. The Journal of Chemical Physics, 139 (17). 174704pp. doi:10.1063/1.4827518
Krishnan, Raishma, Jaiswal, Prabhat K., Puri, Sanjay (2013) Phase separation in antisymmetric films: A molecular dynamics study. The Journal of Chemical Physics, 139 (17). 174705pp. doi:10.1063/1.4827882
Das, Chandan K., Singh, Jayant K. (2013) Effect of confinement on the solid-liquid coexistence of Lennard-Jones Fluid. The Journal of Chemical Physics, 139 (17). 174706pp. doi:10.1063/1.4827397
Seenivasan, H., Tiwari, Ashwani K. (2013) Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity. The Journal of Chemical Physics, 139 (17). 174707pp. doi:10.1063/1.4827641
Zhou, Jiajia, Asmolov, Evgeny S., Schmid, Friederike, Vinogradova, Olga I. (2013) Effective slippage on superhydrophobic trapezoidal grooves. The Journal of Chemical Physics, 139 (17). 174708pp. doi:10.1063/1.4827867
Broch, K., Gerlach, A., Lorch, C., Dieterle, J., Novák, J., Hinderhofer, A., Schreiber, F. (2013) Structure formation in perfluoropentacene:diindenoperylene blends and its impact on transient effects in the optical properties studied in real-time during growth. The Journal of Chemical Physics, 139 (17). 174709pp. doi:10.1063/1.4827868
Mattarelli, M., Secchi, M., Montagna, M. (2013) Phononic crystals of spherical particles: A tight binding approach. The Journal of Chemical Physics, 139 (17). 174710pp. doi:10.1063/1.4828436
Dragneva, N., Floriano, W. B., Stauffer, D., Mawhinney, R. C., Fanchini, G., Rubel, O. (2013) Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect. The Journal of Chemical Physics, 139 (17). 174711pp. doi:10.1063/1.4828437
Thekkethala, Joe Francis, Sathian, Sarith P. (2013) Thermal transpiration through single walled carbon nanotubes and graphene channels. The Journal of Chemical Physics, 139 (17). 174712pp. doi:10.1063/1.4828705
Skartlien, R., Sollum, E., Schumann, H. (2013) Droplet size distributions in turbulent emulsions: Breakup criteria and surfactant effects from direct numerical simulations. The Journal of Chemical Physics, 139 (17). 174901pp. doi:10.1063/1.4827025
Fantoni, Riccardo, Giacometti, Achille, Maestre, Miguel Ángel G., Santos, Andrés (2013) Phase diagrams of Janus fluids with up-down constrained orientations. The Journal of Chemical Physics, 139 (17). 174902pp. doi:10.1063/1.4827861
Ribeiro, Luiz Antonio, da Cunha, Wiliam Ferreira, de Oliveira Neto, Pedro Henrique, Gargano, Ricardo, e Silva, Geraldo Magela (2013) Impurity effects on polaron-exciton formation in conjugated polymers. The Journal of Chemical Physics, 139 (17). 174903pp. doi:10.1063/1.4828726
Bealing, Clive R., Ramprasad, R. (2013) An atomistic description of the high-field degradation of dielectric polyethylene. The Journal of Chemical Physics, 139 (17). 174904pp. doi:10.1063/1.4824386
Dutta, Sarit, Dorfman, Kevin D., Kumar, Satish (2013) Dynamics of polymer adsorption from dilute solution in shear flow near a planar wall. The Journal of Chemical Physics, 139 (17). 174905pp. doi:10.1063/1.4827255
Matsuyama, Akihiko (2013) Theory of polymer-dispersed cholesteric liquid crystals. The Journal of Chemical Physics, 139 (17). 174906pp. doi:10.1063/1.4828940
Lindner, Benjamin, Yi, Zheng, Prinz, Jan-Hendrik, Smith, Jeremy C., Noé, Frank (2013) Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models. The Journal of Chemical Physics, 139 (17). 175101pp. doi:10.1063/1.4824070
Yi, Zheng, Lindner, Benjamin, Prinz, Jan-Hendrik, Noé, Frank, Smith, Jeremy C. (2013) Dynamic neutron scattering from conformational dynamics. II. Application using molecular dynamics simulation and Markov modeling. The Journal of Chemical Physics, 139 (17). 175102pp. doi:10.1063/1.4824071
Gruenbaum, S. M., Skinner, J. L. (2013) Vibrational spectroscopy of water in hydrated lipid multi-bilayers. III. Water clustering and vibrational energy transfer. The Journal of Chemical Physics, 139 (17). 175103pp. doi:10.1063/1.4827018
Erdmann, Thorsten, Albert, Philipp J., Schwarz, Ulrich S. (2013) Stochastic dynamics of small ensembles of non-processive molecular motors: The parallel cluster model. The Journal of Chemical Physics, 139 (17). 175104pp. doi:10.1063/1.4827497
Troncoso, Jacobo, Cerdeiriña, Claudio A. (2013) Note: Evidence against 2D-Ising criticality in aqueous solutions with added salt. The Journal of Chemical Physics, 139 (17). 176101pp. doi:10.1063/1.4828738
Gould, Tim, Dobson, John F. (2013) Publisher's Note: “Electron affinities and ionisation potentials for atoms via ‘benchmark’ tdDFT calculations with and without exchange kernels” [J. Chem. Phys. 138, 014109 (2013)]. The Journal of Chemical Physics, 139 (17). 179901pp. doi:10.1063/1.4828724

See Also

These are possibly similar items as determined by title/reference text matching only.

(2013, November) The Journal of Chemical Physics Vol. 139 (20) AIP Publishing
(2013, November) The Journal of Chemical Physics Vol. 139 (18) AIP Publishing
(2013, November) The Journal of Chemical Physics Vol. 139 (19) AIP Publishing
(2013, November) Journal of Applied Physics Vol. 114 (17) AIP Publishing
(2014, November) The Journal of Chemical Physics Vol. 141 (17) AIP Publishing
(2001, November) The Journal of Chemical Physics Vol. 115 (17) AIP Publishing
(2002, November) The Journal of Chemical Physics Vol. 117 (17) AIP Publishing
(1999, November) The Journal of Chemical Physics Vol. 111 (17) AIP Publishing
(2000, November) The Journal of Chemical Physics Vol. 113 (17) AIP Publishing
(1949, November) The Journal of Chemical Physics Vol. 17 (11) AIP Publishing
(2007, November) The Journal of Chemical Physics Vol. 127 (17) AIP Publishing
 
and/or  
版权所有© mindat.org1993年至2026年，除了规定的地方。 Mindat.org全赖于全球数千个以上成员和支持者们的参与。
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
隐私政策 - 条款和条款细则 - 联络我们 - Report a bug/vulnerability Current server date and time: 2026.6.5 11:48:44
Go to top of page