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(2015, October) The Journal of Chemical Physics Vol. 143 (13) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2015 (October)Volume143
Issue<   13   >
PublisherAIP Publishing
Mindat Ref. ID2379786Long-form Identifiermindat:1:5:2379786:2
GUID0
Full Reference(2015, October) The Journal of Chemical Physics Vol. 143 (13) AIP Publishing
Plain Text(2015, October) The Journal of Chemical Physics Vol. 143 (13) AIP Publishing
In(2015) The Journal of Chemical Physics Vol. 143. AIP Publishing

Contains

Dudowicz, Jacek, Freed, Karl F., Douglas, Jack F. (2015) Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory. The Journal of Chemical Physics, 143 (13). 131101pp. doi:10.1063/1.4932061
Zhang, Zhongzhi, Dong, Yuze, Sheng, Yibin (2015) Mixed random walks with a trap in scale-free networks including nearest-neighbor and next-nearest-neighbor jumps. The Journal of Chemical Physics, 143 (13). 134101pp. doi:10.1063/1.4931988
Ivanov, Maxim V., Talipov, Marat R., Timerghazin, Qadir K. (2015) Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning. The Journal of Chemical Physics, 143 (13). 134102pp. doi:10.1063/1.4932105
Xia, Kelin, Zhao, Zhixiong, Wei, Guo-Wei (2015) Multiresolution persistent homology for excessively large biomolecular datasets. The Journal of Chemical Physics, 143 (13). 134103pp. doi:10.1063/1.4931733
Zeng, Qiao, Liang, WanZhen (2015) Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation. The Journal of Chemical Physics, 143 (13). 134104pp. doi:10.1063/1.4931734
Faucheaux, Jacob A., Hirata, So (2015) Higher-order diagrammatic vibrational coupled-cluster theory. The Journal of Chemical Physics, 143 (13). 134105pp. doi:10.1063/1.4931472
Jain, Amber, Herman, Michael F., Ouyang, Wenjun, Subotnik, Joseph E. (2015) Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility. The Journal of Chemical Physics, 143 (13). 134106pp. doi:10.1063/1.4930548
Jain, Amber, Subotnik, Joseph E. (2015) Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance. The Journal of Chemical Physics, 143 (13). 134107pp. doi:10.1063/1.4930549
Godtliebsen, Ian H., Christiansen, Ove (2015) Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states. The Journal of Chemical Physics, 143 (13). 134108pp. doi:10.1063/1.4932010
Subramanian, Gopinath, Mathew, Nithin, Leiding, Jeff (2015) A generalized force-modified potential energy surface for mechanochemical simulations. The Journal of Chemical Physics, 143 (13). 134109pp. doi:10.1063/1.4932103
Sand, Andrew M., Mazziotti, David A. (2015) Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systems. The Journal of Chemical Physics, 143 (13). 134110pp. doi:10.1063/1.4931471
Zinovjev, Kirill, Tuñón, Iñaki (2015) Transition state ensemble optimization for reactions of arbitrary complexity. The Journal of Chemical Physics, 143 (13). 134111pp. doi:10.1063/1.4931596
Hofmann, Matthias J., Koelsch, Patrick (2015) Retrieval of complex χ(2) parts for quantitative analysis of sum-frequency generation intensity spectra. The Journal of Chemical Physics, 143 (13). 134112pp. doi:10.1063/1.4932180
Wu, Xiaokun, Han, Min, Ming, Dengming (2015) Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlations. The Journal of Chemical Physics, 143 (13). 134113pp. doi:10.1063/1.4932329
Schierz, Philipp, Zierenberg, Johannes, Janke, Wolfhard (2015) Molecular Dynamics and Monte Carlo simulations in the microcanonical ensemble: Quantitative comparison and reweighting techniques. The Journal of Chemical Physics, 143 (13). 134114pp. doi:10.1063/1.4931484
Richardson, Jeremy O., Bauer, Rainer, Thoss, Michael (2015) Semiclassical Green’s functions and an instanton formulation of electron-transfer rates in the nonadiabatic limit. The Journal of Chemical Physics, 143 (13). 134115pp. doi:10.1063/1.4932361
Richardson, Jeremy O. (2015) Ring-polymer instanton theory of electron transfer in the nonadiabatic limit. The Journal of Chemical Physics, 143 (13). 134116pp. doi:10.1063/1.4932362
Blunt, N. S., Smart, Simon D., Booth, George H., Alavi, Ali (2015) An excited-state approach within full configuration interaction quantum Monte Carlo. The Journal of Chemical Physics, 143 (13). 134117pp. doi:10.1063/1.4932595
Sharma, P., Mišković, Z. L. (2015) Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann model. The Journal of Chemical Physics, 143 (13). 134118pp. doi:10.1063/1.4932179
Wang, Bao, Wei, G. W. (2015) Parameter optimization in differential geometry based solvation models. The Journal of Chemical Physics, 143 (13). 134119pp. doi:10.1063/1.4932342
Humeniuk, Alexander, Mitrić, Roland (2015) Long-range correction for tight-binding TD-DFT. The Journal of Chemical Physics, 143 (13). 134120pp. doi:10.1063/1.4931179
Terrier, Pierre, Marinica, Mihai-Cosmin, Athènes, Manuel (2015) Using Bayes formula to estimate rates of rare events in transition path sampling simulations. The Journal of Chemical Physics, 143 (13). 134121pp. doi:10.1063/1.4932389
Thaler, Philipp, Volk, Alexander, Knez, Daniel, Lackner, Florian, Haberfehlner, Georg, Steurer, Johannes, Schnedlitz, Martin, Ernst, Wolfgang E. (2015) Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data. The Journal of Chemical Physics, 143 (13). 134201pp. doi:10.1063/1.4932182
Trabelsi, Tarek, Linguerri, Roberto, Ben Yaghlane, Saida, Jaidane, Nejm-Eddine, Mogren Al-Mogren, Muneerah, Francisco, Joseph S., Hochlaf, Majdi (2015) On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media. The Journal of Chemical Physics, 143 (13). 134301pp. doi:10.1063/1.4932084
Salén, Peter, Yatsyna, Vasyl, Schio, Luca, Feifel, Raimund, af Ugglas, Magnus, Richter, Robert, Alagia, Michele, Stranges, Stefano, Zhaunerchyk, Vitali (2015) Complete dissociation branching fractions and Coulomb explosion dynamics of SO2 induced by excitation of O 1s pre-edge resonances. The Journal of Chemical Physics, 143 (13). 134302pp. doi:10.1063/1.4931645
Sotthewes, K., Heimbuch, R., Zandvliet, H. J. W. (2015) Dynamics of copper-phthalocyanine molecules on Au/Ge(001). The Journal of Chemical Physics, 143 (13). 134303pp. doi:10.1063/1.4932190
Ventrillard, I., Romanini, D., Mondelain, D., Campargue, A. (2015) Accurate measurements and temperature dependence of the water vapor self-continuum absorption in the 2.1 μm atmospheric window. The Journal of Chemical Physics, 143 (13). 134304pp. doi:10.1063/1.4931811
Liu, Na, Yang, Minghui (2015) An eight-dimensional quantum dynamics study of the Cl + CH4→ HCl + CH3 reaction. The Journal of Chemical Physics, 143 (13). 134305pp. doi:10.1063/1.4931833
Dixon, Andrew R., Khuseynov, Dmitry, Sanov, Andrei (2015) Benzonitrile: Electron affinity, excited states, and anion solvation. The Journal of Chemical Physics, 143 (13). 134306pp. doi:10.1063/1.4931985
Tsukerblat, Boris, Palii, Andrew, Clemente-Juan, Juan Modesto, Coronado, Eugenio (2015) Mixed-valence molecular four-dot unit for quantum cellular automata: Vibronic self-trapping and cell-cell response. The Journal of Chemical Physics, 143 (13). 134307pp. doi:10.1063/1.4932106
Hamm, Peter, Stock, Gerhard (2015) Nonadiabatic vibrational dynamics in the HCO2−⋅H2O complex. The Journal of Chemical Physics, 143 (13). 134308pp. doi:10.1063/1.4932189
Morini, Filippo, Watanabe, Noboru, Kojima, Masataka, Deleuze, Michael Simon, Takahashi, Masahiko (2015) Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state. The Journal of Chemical Physics, 143 (13). 134309pp. doi:10.1063/1.4931918
Jensen, M. H., Alba-Simionesco, C., Niss, K., Hecksher, T. (2015) A systematic study of the isothermal crystallization of the mono-alcohol n-butanol monitored by dielectric spectroscopy. The Journal of Chemical Physics, 143 (13). 134501pp. doi:10.1063/1.4931807
Pérez, Silvina C., Zuriaga, Mariano, Serra, Pablo, Wolfenson, Alberto, Negrier, Philippe, Tamarit, Josep Lluis (2015) Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane. The Journal of Chemical Physics, 143 (13). 134502pp. doi:10.1063/1.4931824
Shelton, David P. (2015) Long-range orientation correlation in dipolar liquids probed by hyper-Rayleigh scattering. The Journal of Chemical Physics, 143 (13). 134503pp. doi:10.1063/1.4931973
Zaragoza, Alberto, Conde, Maria M., Espinosa, Jorge R., Valeriani, Chantal, Vega, Carlos, Sanz, Eduardo (2015) Competition between ices Ih and Ic in homogeneous water freezing. The Journal of Chemical Physics, 143 (13). 134504pp. doi:10.1063/1.4931987
Araque, Juan C., Hettige, Jeevapani J., Margulis, Claudio J. (2015) Ionic liquids—Conventional solvent mixtures, structurally different but dynamically similar. The Journal of Chemical Physics, 143 (13). 134505pp. doi:10.1063/1.4932331
Aryanfar, Asghar, Cheng, Tao, Colussi, Agustin J., Merinov, Boris V., Goddard, William A., Hoffmann, Michael R. (2015) Annealing kinetics of electrodeposited lithium dendrites. The Journal of Chemical Physics, 143 (13). 134701pp. doi:10.1063/1.4930014
Gerosa, Matteo, Bottani, Carlo Enrico, Caramella, Lucia, Onida, Giovanni, Di Valentin, Cristiana, Pacchioni, Gianfranco (2015) Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides. The Journal of Chemical Physics, 143 (13). 134702pp. doi:10.1063/1.4931805
Chuang, Claire Y., Han, Sang M., Zepeda-Ruiz, Luis A., Sinno, Talid (2015) On coarse projective integration for atomic deposition in amorphous systems. The Journal of Chemical Physics, 143 (13). 134703pp. doi:10.1063/1.4931991
Lazarowska, A., Mahlik, S., Grinberg, M., Lin, Chun Che, Liu, Ru-Shi (2015) Pressure effect on the zero-phonon line emission of Mn4+ in K2SiF6. The Journal of Chemical Physics, 143 (13). 134704pp. doi:10.1063/1.4932181
Bottiglione, F., Carbone, G., Persson, B. N. J. (2015) Fluid contact angle on solid surfaces: Role of multiscale surface roughness. The Journal of Chemical Physics, 143 (13). 134705pp. doi:10.1063/1.4932104
Dou, Wei-Dong, Huang, Shu-Ping, Lee, Chun-Sing (2015) Graphene-enhanced intermolecular interaction at interface between copper- and cobalt-phthalocyanines. The Journal of Chemical Physics, 143 (13). 134706pp. doi:10.1063/1.4932192
Paoloni, S., Mercuri, F., Marinelli, M., Pizzoferrato, R., Zammit, U., Kosa, T., Sukhomlinova, L., Taheri, B. (2015) Simultaneous calorimetric and polarization microscopy investigations of light induced changes over phase transitions in a liquid crystal–napthopyran mixture. The Journal of Chemical Physics, 143 (13). 134901pp. doi:10.1063/1.4931822
Dehghan, Ashkan, Schick, M., Shi, An-Chang (2015) Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin films. The Journal of Chemical Physics, 143 (13). 134902pp. doi:10.1063/1.4931826
Odagiri, Kenta, Seki, Kazuhiko (2015) Coil–globule transition of a polymer involved in excluded-volume interactions with macromolecules. The Journal of Chemical Physics, 143 (13). 134903pp. doi:10.1063/1.4932344
Chen, Yuhao, Yu, Wancheng, Wang, Jiajun, Luo, Kaifu (2015) Polymer segregation under confinement: Influences of macromolecular crowding and the interaction between the polymer and crowders. The Journal of Chemical Physics, 143 (13). 134904pp. doi:10.1063/1.4932370
Duan, Mojie, Liu, Hanzhong, Li, Minghai, Huo, Shuanghong (2015) Network representation of conformational transitions between hidden intermediates of Rd-apocytochrome b562. The Journal of Chemical Physics, 143 (13). 135101pp. doi:10.1063/1.4931921
Kuffel, Anna, Czapiewski, Dariusz, Zielkiewicz, Jan (2015) Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein. The Journal of Chemical Physics, 143 (13). 135102pp. doi:10.1063/1.4931922
Nochebuena, Jorge, Ireta, Joel (2015) On cooperative effects and aggregation of GNNQQNY and NNQQNY peptides. The Journal of Chemical Physics, 143 (13). 135103pp. doi:10.1063/1.4932083
Mascaritolo, Kyle J., Gardner, Adrian M., Heaven, Michael C. (2015) Erratum: “Autodetachment spectroscopy of the aluminum oxide anion dipole bound state” [J. Chem. Phys. 143, 114311 (2015)]. The Journal of Chemical Physics, 143 (13). 139901pp. doi:10.1063/1.4932680

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