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(2020, April) The Journal of Chemical Physics Vol. 152 (13) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2020 (April)Volume152
Issue<   13   >
PublisherAIP Publishing
Mindat Ref. ID2416637Long-form Identifiermindat:1:5:2416637:9
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Full Reference(2020, April) The Journal of Chemical Physics Vol. 152 (13) AIP Publishing
Plain Text(2020, April) The Journal of Chemical Physics Vol. 152 (13) AIP Publishing
In(2020) The Journal of Chemical Physics Vol. 152. AIP Publishing

Contains

Sum, Tze Chien, Righetto, Marcello, Lim, Swee Sien (2020) Quo vadis, perovskite emitters?. The Journal of Chemical Physics, 152 (13). 130901pp. doi:10.1063/1.5132366
Maldonado, Alex M., Basdogan, Yasemin, Berryman, Joshua T., Rempe, Susan B., Keith, John A. (2020) First-principles modeling of chemistry in mixed solvents: Where to go from here?. The Journal of Chemical Physics, 152 (13). 130902pp. doi:10.1063/1.5143207
Forastiere, Danilo, Falasco, Gianmaria, Esposito, Massimiliano (2020) Strong current response to slow modulation: A metabolic case-study. The Journal of Chemical Physics, 152 (13). 134101pp. doi:10.1063/1.5143197
Lee, Kyusup, Sung, Jaeyoung, Choi, Cheol Ho, Lee, Sangyoub (2020) Green’s function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions. The Journal of Chemical Physics, 152 (13). 134102pp. doi:10.1063/1.5144269
Riemelmoser, Stefan, Kaltak, Merzuk, Kresse, Georg (2020) Plane wave basis set correction methods for RPA correlation energies. The Journal of Chemical Physics, 152 (13). 134103pp. doi:10.1063/5.0002246
Basnayake, K., Holcman, D. (2020) Extreme escape from a cusp: When does geometry matter for the fastest Brownian particles moving in crowded cellular environments?. The Journal of Chemical Physics, 152 (13). 134104pp. doi:10.1063/5.0002030
Zhao, Hewang, Wang, Zhifan, Guo, Minggang, Wang, Fan (2020) Splittings of d8 configurations of late-transition metals with EOM-DIP-CCSD and FSCCSD methods. The Journal of Chemical Physics, 152 (13) 134105pp. doi:10.1063/1.5145077
Hammer, Morten, Aasen, Ailo, Ervik, Åsmund, Wilhelmsen, Øivind (2020) Choice of reference, influence of non-additivity, and present challenges in thermodynamic perturbation theory for mixtures. The Journal of Chemical Physics, 152 (13) 134106pp. doi:10.1063/1.5142771
Dong, Xinyang, Zgid, Dominika, Gull, Emanuel, Strand, Hugo U. R. (2020) Legendre-spectral Dyson equation solver with super-exponential convergence. The Journal of Chemical Physics, 152 (13). 134107pp. doi:10.1063/5.0003145
Lehtola, Susi (2020) Polarized Gaussian basis sets from one-electron ions. The Journal of Chemical Physics, 152 (13) 134108pp. doi:10.1063/1.5144964
Liang, Jiuyang, Yuan, Jiaxing, Luijten, Erik, Xu, Zhenli (2020) Harmonic surface mapping algorithm for molecular dynamics simulations of particle systems with planar dielectric interfaces. The Journal of Chemical Physics, 152 (13) 134109pp. doi:10.1063/5.0003293
Lischka, Hans, Shepard, Ron, Müller, Thomas, Szalay, Péter G., Pitzer, Russell M., Aquino, Adelia J. A., Araújo do Nascimento, Mayzza M., Barbatti, Mario, Belcher, Lachlan T., Blaudeau, Jean-Philippe, Borges, Itamar, Brozell, Scott R., Carter, Emily A., Das, Anita, Gidofalvi, Gergely, González, Leticia, Hase, William L., Kedziora, Gary, Kertesz, Miklos, Kossoski, Fábris, Machado, Francisco B. C., Matsika, Spiridoula, do Monte, Silmar A., Nachtigallová, Dana, Nieman, Reed, Oppel, Markus, Parish, Carol A., Plasser, Felix, Spada, Rene F. K., Stahlberg, Eric A., Ventura, Elizete, Yarkony, David R., Zhang, Zhiyong (2020) The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics, 152 (13) 134110pp. doi:10.1063/1.5144267
Metz, Michael P., Szalewicz, Krzysztof (2020) A statistically guided grid generation method and its application to intermolecular potential energy surfaces. The Journal of Chemical Physics, 152 (13) 134111pp. doi:10.1063/1.5141777
Stopera, Christopher, Morales, Jorge A. (2020) Temporally stable rotational coherent states for molecular simulations. I. Spherical and linear rotor cases. The Journal of Chemical Physics, 152 (13) 134112pp. doi:10.1063/5.0002424
Schnack-Petersen, Anna Kristina, Simmermacher, Mats, Fasshauer, Elke, Jensen, Hans Jørgen Aa., Sauer, Stephan P. A. (2020) The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a four-component spinor basis. The Journal of Chemical Physics, 152 (13) 134113pp. doi:10.1063/5.0002389
Dudás, Eszter, Suas-David, Nicolas, Brahmachary, Shuvayan, Kulkarni, Vinayak, Benidar, Abdessamad, Kassi, Samir, Charles, Christine, Georges, Robert (2020) High-temperature hypersonic Laval nozzle for non-LTE cavity ringdown spectroscopy. The Journal of Chemical Physics, 152 (13). 134201pp. doi:10.1063/5.0003886
Hao, Hua, Jia, Ting, Zheng, Xiaohong, Liu, Peng, Zeng, Zhi (2020) Bias induced spin state transition mediated by electron excitations. The Journal of Chemical Physics, 152 (13). 134301pp. doi:10.1063/1.5126968
Trabelsi, Tarek, Rohacs, Natasa, Francisco, Joseph S. (2020) Photochemistry from low-lying states of HOSO+. The Journal of Chemical Physics, 152 (13). 134302pp. doi:10.1063/5.0001867
Martinez-Baez, Ernesto, Feng, Rulin, Pearce, Carolyn I., Schenter, Gregory K., Clark, Aurora E. (2020) Al27 NMR chemical shift of Al(OH)4− calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems. The Journal of Chemical Physics, 152 (13). 134303pp. doi:10.1063/1.5144294
Zhou, Zhengfang, Feng, Shaowen, Hua, Zefeng, Li, Zhen, Chen, Yang, Zhao, Dongfeng (2020) Dissociation dynamics of carbon dioxide cation (CO2+) in the C2Σg+ state via [1+1] two-photon excitation. The Journal of Chemical Physics, 152 (13). 134304pp. doi:10.1063/1.5143848
Kortyna, Andrew, Doney, Kirstin, Nesbitt, D. J. (2020) High-resolution infrared spectroscopy of jet cooled CH2Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling. The Journal of Chemical Physics, 152 (13) 134305pp. doi:10.1063/5.0002165
Nguyen, Thuy, Van, Vinh, Gutlé, Claudine, Stahl, Wolfgang, Schwell, Martin, Kleiner, Isabelle, Nguyen, Ha Vinh Lam (2020) The microwave spectrum of 2-methylthiazole: 14N nuclear quadrupole coupling and methyl internal rotation. The Journal of Chemical Physics, 152 (13) 134306pp. doi:10.1063/1.5142857
Johnson, Philip M. (2020) The longer timescale excited state dynamics of isolated benzene. The Journal of Chemical Physics, 152 (13) 134307pp. doi:10.1063/5.0003908
McCracken, Gregory A., Bucksbaum, Philip H. (2020) Ionization induced dynamic alignment of water. The Journal of Chemical Physics, 152 (13) 134308pp. doi:10.1063/5.0002877
Song, Qingfei, Zhang, Qiuyu, Meng, Qingyong (2020) Revisiting the Gaussian process regression for fitting high-dimensional potential energy surface and its application to the OH + HO2→O2+ H2O reaction. The Journal of Chemical Physics, 152 (13) 134309pp. doi:10.1063/1.5143544
Gutiérrez, Anthony B., Chapela, Gustavo A. (2020) Effect of shape on liquid–vapor coexistence and surface properties of parallelepiped molecules. The Journal of Chemical Physics, 152 (13). 134501pp. doi:10.1063/1.5141352
Mirzaeinia, Ali, Feyzi, Farzaneh (2020) A perturbed-chain equation of state based on Wertheim TPT for the fully flexible LJ chains in the fluid and solid phases. The Journal of Chemical Physics, 152 (13) 134502pp. doi:10.1063/1.5134511
Rani, Sana, Byron, Carly, Teplyakov, Andrew V. (2020) Formation of silica-supported platinum nanoparticles as a function of preparation conditions and boron impregnation. The Journal of Chemical Physics, 152 (13). 134701pp. doi:10.1063/1.5142503
Gómez-Marín, Ana María, Briega-Martos, Valentín, Feliu, Juan M. (2020) Structure effects on electrocatalysts. Oxygen reduction on Te-modified Pt(111) surfaces: Site-blocking vs electronic effects. The Journal of Chemical Physics, 152 (13) 134702pp. doi:10.1063/5.0003125
Ishiyama, Tatsuya (2020) Existence of weakly interacting OH bond at air/water interface. The Journal of Chemical Physics, 152 (13) 134703pp. doi:10.1063/1.5144308
Peng, Juan, Yu, Xueping, Meng, Yang, Tan, Huiteng, Song, Pin, Liu, Zheng, Yan, Qingyu (2020) Oxygen doped MoS2 quantum dots for efficient electrocatalytic hydrogen generation. The Journal of Chemical Physics, 152 (13) 134704pp. doi:10.1063/1.5142204
Evans, Christopher D., Douthwaite, Mark, Carter, James H., Pattisson, Samuel, Kondrat, Simon A., Bethell, Donald, Knight, David W., Taylor, Stuart H., Hutchings, Graham J. (2020) Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO2 under alkaline conditions. The Journal of Chemical Physics, 152 (13) 134705pp. doi:10.1063/1.5128595
Huang, Shanghui, Quevillon, Michael J., Kyhl, Soren, Whitmer, Jonathan K. (2020) Surveying the free energy landscape of clusters of attractive colloidal spheres. The Journal of Chemical Physics, 152 (13) 134901pp. doi:10.1063/1.5144984
Tong, Zhengqing, Huai, Zhe, Mei, Ye, Mo, Yan (2020) Reproducing the low-temperature excitation energy transfer dynamics of phycoerythrin 545 light-harvesting complex with a structure-based model Hamiltonian. The Journal of Chemical Physics, 152 (13). 135101pp. doi:10.1063/1.5135999
Yang, Yu, Liu, Haitao, Zhang, Ping (2020) Erratum: “Structural and electronic properties of UnOm (n=1-3, m=1-3n) clusters: A theoretical study using screened hybrid density functional theory” [J. Chem. Phys. 144, 184304 (2016)]. The Journal of Chemical Physics, 152 (13). 139901pp. doi:10.1063/5.0007294

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