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(2019, January) The Journal of Chemical Physics Vol. 150 (1) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2019 (January)Volume150
Issue1   >
PublisherAIP Publishing
Mindat Ref. ID2402671Long-form Identifiermindat:1:5:2402671:6
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Full Reference(2019, January) The Journal of Chemical Physics Vol. 150 (1) AIP Publishing
Plain Text(2019, January) The Journal of Chemical Physics Vol. 150 (1) AIP Publishing
In(2019) The Journal of Chemical Physics Vol. 150. AIP Publishing

Contains

Lian, Tianquan (Tim) (2019) Leading JCP into the future. The Journal of Chemical Physics, 150 (1). 10401pp. doi:10.1063/1.5085674
Al-Hamdani, Yasmine S., Tkatchenko, Alexandre (2019) Understanding non-covalent interactions in larger molecular complexes from first principles. The Journal of Chemical Physics, 150 (1). 10901pp. doi:10.1063/1.5075487
Hansen-Goos, Hendrik (2019) Scaling with a fractional power: Overcoming the shortage of scaled-particle variables for the hard-disk fluid. The Journal of Chemical Physics, 150 (1). 11101pp. doi:10.1063/1.5084328
Rehn, Daniel A., Shen, Yuan, Buchholz, Marika E., Dubey, Madan, Namburu, Raju, Reed, Evan J. (2019) ODE integration schemes for plane-wave real-time time-dependent density functional theory. The Journal of Chemical Physics, 150 (1). 14101pp. doi:10.1063/1.5056258
Fábri, Csaba, Marquardt, Roberto, Császár, Attila G., Quack, Martin (2019) Controlling tunneling in ammonia isotopomers. The Journal of Chemical Physics, 150 (1). 14102pp. doi:10.1063/1.5063470
Matsuzaki, Rei, Takatsuka, Kazuo (2019) Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation. The Journal of Chemical Physics, 150 (1). 14103pp. doi:10.1063/1.5066571
Lebold, Kathryn M., Noid, W. G. (2019) Systematic study of temperature and density variations in effective potentials for coarse-grained models of molecular liquids. The Journal of Chemical Physics, 150 (1). 14104pp. doi:10.1063/1.5050509
Zhang, Yubo, Furness, James W., Xiao, Bing, Sun, Jianwei (2019) Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error. The Journal of Chemical Physics, 150 (1). 14105pp. doi:10.1063/1.5055623
Bellonzi, Nicole, Medders, Gregory R., Epifanovsky, Evgeny, Subotnik, Joseph E. (2019) Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradients. The Journal of Chemical Physics, 150 (1). 14106pp. doi:10.1063/1.5045484
Hayashi, Masato, Ohshima, Yasuhiro (2019) Sub-Doppler electronic spectrum of the benzene–D2 complex. The Journal of Chemical Physics, 150 (1). 14301pp. doi:10.1063/1.5077028
Pandeti, S., Feketeová, L., Reddy, T. J., Abdoul-Carime, H., Farizon, B., Farizon, M., Märk, T. D. (2019) Binding preference of nitroimidazolic radiosensitizers to nucleobases and nucleosides probed by electrospray ionization mass spectrometry and density functional theory. The Journal of Chemical Physics, 150 (1). 14302pp. doi:10.1063/1.5062604
Braud, Isabelle, Zamith, Sébastien, Cuny, Jérôme, Zheng, Linjie, L’Hermite, Jean-Marc (2019) Size-dependent proton localization in hydrated uracil clusters: A joint experimental and theoretical study. The Journal of Chemical Physics, 150 (1). 14303pp. doi:10.1063/1.5044481
Koperwas, K., Grzybowski, A., Paluch, M. (2019) The effect of molecular architecture on the physical properties of supercooled liquids studied by MD simulations: Density scaling and its relation to the equation of state. The Journal of Chemical Physics, 150 (1). 14501pp. doi:10.1063/1.5050330
Islam, Naeyma, Flint, Mahalia, Rick, Steven W. (2019) Water hydrogen degrees of freedom and the hydrophobic effect. The Journal of Chemical Physics, 150 (1). 14502pp. doi:10.1063/1.5053239
Reinhart, Wesley F., Panagiotopoulos, Athanassios Z. (2019) Directed assembly of photonic crystals through simple substrate patterning. The Journal of Chemical Physics, 150 (1). 14503pp. doi:10.1063/1.5070153
Wang, Feng, Han, Yilong (2019) Transformations of body-centered cubic crystals composed of hard or soft spheres to liquids or face-centered cubic crystals. The Journal of Chemical Physics, 150 (1). 14504pp. doi:10.1063/1.5059358
Lucas, Pierre, Coleman, Garrett J., Sen, Sabyasachi, Cui, Shuo, Guimond, Yann, Calvez, Laurent, Boussard-Pledel, Catherine, Bureau, Bruno, Troles, Johann (2019) Structural and chemical homogeneity of chalcogenide glass prepared by melt-rocking. The Journal of Chemical Physics, 150 (1). 14505pp. doi:10.1063/1.5054704
Zhang, Yachao (2019) Electric-field control of spin orientation of manganocene: An insight into molecule-substrate interactions. The Journal of Chemical Physics, 150 (1). 14701pp. doi:10.1063/1.5064687
Ramsay, Margo, Beutier, Clémentine, McGarvey, G. Bryce, Hore, Dennis K. (2019) Adsorption of heptane–toluene binary mixtures on a hydrophobic polymer surface. The Journal of Chemical Physics, 150 (1). 14702pp. doi:10.1063/1.5066555
Dreher, Thibaud, Lemarchand, Claire, Pineau, Nicolas, Bourasseau, Emeric, Ghoufi, Aziz, Malfreyt, Patrice (2019) Calculation of the interfacial tension of the graphene-water interaction by molecular simulations. The Journal of Chemical Physics, 150 (1). 14703pp. doi:10.1063/1.5048576
Yamamoto, Daigo, Kosugi, Kento, Hiramatsu, Kazuya, Zhang, Wenyu, Shioi, Akihisa, Kamata, Kaori, Iyoda, Tomokazu, Yoshikawa, Kenichi (2019) Helical micromotor operating under stationary DC electrostatic field. The Journal of Chemical Physics, 150 (1). 14901pp. doi:10.1063/1.5055830
Nowicki, W. (2019) Segregation of ring polyelectrolytes in nano-channel. The Journal of Chemical Physics, 150 (1). 14902pp. doi:10.1063/1.5064512
Metri, Vishal, Briels, W. J. (2019) Brownian dynamics investigation of the Boltzmann superposition principle for orthogonal superposition rheology. The Journal of Chemical Physics, 150 (1). 14903pp. doi:10.1063/1.5080333
Blaber, S., Mahmoudi, P., Spencer, R. K. W., Matsen, M. W. (2019) Effect of chain stiffness on the entropic segregation of chain ends to the surface of a polymer melt. The Journal of Chemical Physics, 150 (1). 14904pp. doi:10.1063/1.5064549
Fraile, Alberto, Smyth, Maeve, Kohanoff, Jorge, Solov’yov, Andrey V. (2019) First principles simulation of damage to solvated nucleotides due to shock waves. The Journal of Chemical Physics, 150 (1). 15101pp. doi:10.1063/1.5028451
Zhang, Leili, Bell, David R., Luan, Binquan, Zhou, Ruhong (2019) Exploring the binding mechanism between human profilin (PFN1) and polyproline-10 through binding mode screening. The Journal of Chemical Physics, 150 (1). 15102pp. doi:10.1063/1.5053922

See Also

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