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(2017, December) The Journal of Chemical Physics Vol. 147 (22) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2017 (December)Volume147
Issue<   22   >
PublisherAIP Publishing
Mindat Ref. ID2394890Long-form Identifiermindat:1:5:2394890:7
GUID0
Full Reference(2017, December) The Journal of Chemical Physics Vol. 147 (22) AIP Publishing
Plain Text(2017, December) The Journal of Chemical Physics Vol. 147 (22) AIP Publishing
In(2017) The Journal of Chemical Physics Vol. 147. AIP Publishing

Contains

Bzdek, Bryan R., Reid, Jonathan P. (2017) Perspective: Aerosol microphysics: From molecules to the chemical physics of aerosols. The Journal of Chemical Physics, 147 (22). 220901pp. doi:10.1063/1.5002641
Fortenberry, Ryan C., Lee, Timothy J., Layfield, Joshua P. (2017) Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends. The Journal of Chemical Physics, 147 (22). 221101pp. doi:10.1063/1.5013026
Martiskainen, Hanna, Moiseyev, Nimrod (2017) Adiabatic perturbation theory for atoms and molecules in the low-frequency regime. The Journal of Chemical Physics, 147 (22). 224101pp. doi:10.1063/1.5001866
Goethe, Martin, Fita, Ignacio, Rubi, J. Miguel (2017) Testing the mutual information expansion of entropy with multivariate Gaussian distributions. The Journal of Chemical Physics, 147 (22). 224102pp. doi:10.1063/1.4996847
Davidchack, R. L., Ouldridge, T. E., Tretyakov, M. V. (2017) Geometric integrator for Langevin systems with quaternion-based rotational degrees of freedom and hydrodynamic interactions. The Journal of Chemical Physics, 147 (22). 224103pp. doi:10.1063/1.4999771
Jensen, Anders, Strange, Mikkel, Smidstrup, SĂžren, Stokbro, Kurt, Solomon, Gemma C., Reuter, Matthew G. (2017) Complex band structure and electronic transmission eigenchannels. The Journal of Chemical Physics, 147 (22). 224104pp. doi:10.1063/1.5016179
Miao, Gaohan, Dou, Wenjie, Subotnik, Joseph (2017) Vibrational relaxation at a metal surface: Electronic friction versus classical master equations. The Journal of Chemical Physics, 147 (22). 224105pp. doi:10.1063/1.5000237
Bennett, M. Chandler, Melton, Cody A., Annaberdiyev, Abdulgani, Wang, Guangming, Shulenburger, Luke, Mitas, Lubos (2017) A new generation of effective core potentials for correlated calculations. The Journal of Chemical Physics, 147 (22). 224106pp. doi:10.1063/1.4995643
Buxton, Samuel J., Habershon, Scott (2017) Accelerated path-integral simulations using ring-polymer interpolation. The Journal of Chemical Physics, 147 (22). 224107pp. doi:10.1063/1.5006465
Gatto, Paolo, Lipparini, Filippo, Stamm, Benjamin (2017) Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigm. The Journal of Chemical Physics, 147 (22). 224108pp. doi:10.1063/1.5008329
Kershaw, Vincent F., Kosov, Daniel S. (2017) Nonequilibrium Green’s function theory for nonadiabatic effects in quantum electron transport. The Journal of Chemical Physics, 147 (22). 224109pp. doi:10.1063/1.5007071
Belloni, Luc, Puibasset, Joël (2017) Finite-size corrections in simulation of dipolar fluids. The Journal of Chemical Physics, 147 (22). 224110pp. doi:10.1063/1.5005912
Rafatijo, Homayoon, Thompson, Donald L. (2017) General application of Tolman’s concept of activation energy. The Journal of Chemical Physics, 147 (22). 224111pp. doi:10.1063/1.5009751
Kovac, Philip A., Cina, Jeffrey A. (2017) Mixed quantum/semiclassical wave-packet dynamical method for condensed-phase molecular spectroscopy signals. The Journal of Chemical Physics, 147 (22). 224112pp. doi:10.1063/1.5003386
Mineo, Hirobumi, Fujimura, Yuichi (2017) Quantum control of coherent π-electron ring currents in polycyclic aromatic hydrocarbons. The Journal of Chemical Physics, 147 (22). 224301pp. doi:10.1063/1.5004504
Sharipov, Felix, Benites, Victor J. (2017) Transport coefficients of helium-neon mixtures at low density computed from ab initio potentials. The Journal of Chemical Physics, 147 (22). 224302pp. doi:10.1063/1.5001711
Chartrand, A. M., McCormack, E. F., Jacovella, U., Holland, D. M. P., Gans, B., Tang, Xiaofeng, Garcia, G. A., Nahon, L., Pratt, S. T. (2017) Photoelectron angular distributions from rotationally resolved autoionizing states of N2. The Journal of Chemical Physics, 147 (22). 224303pp. doi:10.1063/1.5004538
Van Hoozen, Brian L., Petersen, Poul B. (2017) A combined electronic structure and molecular dynamics approach to computing the OH vibrational feature of strongly hydrogen-bonded carboxylic acids. The Journal of Chemical Physics, 147 (22). 224304pp. doi:10.1063/1.5000341
Shastri, Aparna, Das, Asim Kumar, Krishnakumar, Sunanda, Singh, Param Jeet, Raja Sekhar, B. N. (2017) Spectroscopy of N,N-dimethylformamide in the VUV and IR regions: Experimental and computational studies. The Journal of Chemical Physics, 147 (22). 224305pp. doi:10.1063/1.5006126
Bagus, Paul S., Nelin, Connie J., Ilton, Eugene S., Sassi, Michel J., Rosso, Kevin M. (2017) Analysis of X-ray adsorption edges: L2,3 edge of FeCl4−. The Journal of Chemical Physics, 147 (22). 224306pp. doi:10.1063/1.5006223
Guan, Yafu, Fu, Bina, Zhang, Dong H. (2017) Construction of diabatic energy surfaces for LiFH with artificial neural networks. The Journal of Chemical Physics, 147 (22). 224307pp. doi:10.1063/1.5007031
Hishiyama, N., Hoshino, M., Blanco, F., GarcĂ­a, G., Tanaka, H. (2017) Absolute cross section measurements for the scattering of low- and intermediate-energy electrons from PF3. I. Elastic scattering. The Journal of Chemical Physics, 147 (22). 224308pp. doi:10.1063/1.5009482
Young-Gonzales, A. R., Adrjanowicz, K., Paluch, M., Richert, R. (2017) Nonlinear dielectric features of highly polar glass formers: Derivatives of propylene carbonate. The Journal of Chemical Physics, 147 (22). 224501pp. doi:10.1063/1.5003813
Wang, Yong-Lei, Li, Bin, Sarman, Sten, Laaksonen, Aatto (2017) Microstructures and dynamics of tetraalkylphosphonium chloride ionic liquids. The Journal of Chemical Physics, 147 (22). 224502pp. doi:10.1063/1.4995003
Baranau, Vasili, Tallarek, Ulrich (2017) Another resolution of the configurational entropy paradox as applied to hard spheres. The Journal of Chemical Physics, 147 (22). 224503pp. doi:10.1063/1.4999483
Tortora, Maxime M. C., Doye, Jonathan P. K. (2017) Hierarchical bounding structures for efficient virial computations: Towards a realistic molecular description of cholesterics. The Journal of Chemical Physics, 147 (22). 224504pp. doi:10.1063/1.5002666
Cao, Cong, Huang, Xinru, Roth, Connie B., Weeks, Eric R. (2017) Aging near rough and smooth boundaries in colloidal glasses. The Journal of Chemical Physics, 147 (22). 224505pp. doi:10.1063/1.5000445
Mendt, Matthias, Barth, Benjamin, Hartmann, Martin, Pöppl, Andreas (2017) Low-temperature binding of NO adsorbed on MIL-100(Al)—A case study for the application of high resolution pulsed EPR methods and DFT calculations. The Journal of Chemical Physics, 147 (22). 224701pp. doi:10.1063/1.4995551
Gong, Ke, Kelley, David F., Kelley, Anne Myers (2017) Resonance Raman excitation profiles of CdS in pure CdS and CdSe/CdS core/shell quantum dots: CdS-localized excitons. The Journal of Chemical Physics, 147 (22). 224702pp. doi:10.1063/1.5003099
Hembree, Robert H., Vazhappilly, Tijo, Micha, David A. (2017) Quantum confinement effects on electronic photomobilities at nanostructured semiconductor surfaces: Si(111) without and with adsorbed Ag clusters. The Journal of Chemical Physics, 147 (22). 224703pp. doi:10.1063/1.4999943
Esmaili, Sasan, Bass, Andrew D., Cloutier, Pierre, Sanche, LĂ©on, Huels, Michael A. (2017) Synthesis of complex organic molecules in simulated methane rich astrophysical ices. The Journal of Chemical Physics, 147 (22). 224704pp. doi:10.1063/1.5003898
Desai, Saaketh, Li, Chunyu, Shen, Tongtong, Strachan, Alejandro (2017) Molecular modeling of the microstructure evolution during carbon fiber processing. The Journal of Chemical Physics, 147 (22). 224705pp. doi:10.1063/1.5000911
Therrien, Andrew J., Hensley, Alyssa J. R., Zhang, Renqin, Pronschinske, Alex, Marcinkowski, Matthew D., McEwen, Jean-Sabin, Sykes, E. Charles H. (2017) Characterizing the geometric and electronic structure of defects in the “29” copper surface oxide. The Journal of Chemical Physics, 147 (22). 224706pp. doi:10.1063/1.4996729
Cheng, Shengfeng, Stevens, Mark J., Grest, Gary S. (2017) Ordering nanoparticles with polymer brushes. The Journal of Chemical Physics, 147 (22). 224901pp. doi:10.1063/1.5006048
BarragĂĄn Vidal, I. A., MĂŒller, M. (2017) Generalization of the swelling method to measure the intrinsic curvature of lipids. The Journal of Chemical Physics, 147 (22). 224902pp. doi:10.1063/1.5001858
Cinacchi, Giorgio, Ferrarini, Alberta, Giacometti, Achille, Kolli, Hima Bindu (2017) Cholesteric and screw-like nematic phases in systems of helical particles. The Journal of Chemical Physics, 147 (22). 224903pp. doi:10.1063/1.4996610
Drwenski, Tara, Dussi, Simone, Dijkstra, Marjolein, van Roij, René, van der Schoot, Paul (2017) Connectedness percolation of hard deformed rods. The Journal of Chemical Physics, 147 (22). 224904pp. doi:10.1063/1.5006380
Sun, Ke-Wei, Yao, Yao (2017) Beating maps of singlet fission: Simulation of coherent two-dimensional electronic spectroscopy by Davydov ansatz in organic molecules. The Journal of Chemical Physics, 147 (22). 224905pp. doi:10.1063/1.5005564
Rashidi, Aidin, Wirth, Christopher L. (2017) Motion of a Janus particle very near a wall. The Journal of Chemical Physics, 147 (22). 224906pp. doi:10.1063/1.4994843
Feng, Mei, Bell, David R., Zhou, Ruhong (2017) Propensity of a single-walled carbon nanotube-peptide to mimic a KK10 peptide in an HLA-TCR complex. The Journal of Chemical Physics, 147 (22). 225101pp. doi:10.1063/1.4996374
Garai, Ashok, Mogurampelly, Santosh, Bag, Saientan, Maiti, Prabal K. (2017) Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA. The Journal of Chemical Physics, 147 (22). 225102pp. doi:10.1063/1.4991862
Nomura, Shinji, Tsuchida, Hidetsugu, Kajiwara, Akihiro, Yoshida, Shintaro, Majima, Takuya, Saito, Manabu (2017) Dissociation of biomolecules in liquid environments during fast heavy-ion irradiation. The Journal of Chemical Physics, 147 (22). 225103pp. doi:10.1063/1.5009367
Chen, Min, He, Chao, Bai, Xilin, Zhao, Dongfeng, Chen, Yang (2017) Note: Ultraviolet photodissociation dynamics of o-bromofluorobenzene in 234–267 nm. The Journal of Chemical Physics, 147 (22). 226101pp. doi:10.1063/1.5007129

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