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(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2015 (July)Volume143
Issue<   2   >
PublisherAIP Publishing
Mindat Ref. ID2380831Long-form Identifiermindat:1:5:2380831:7
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Full Reference(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing
Plain Text(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing
In(2015) The Journal of Chemical Physics Vol. 143. AIP Publishing

Contains

Lee, Yuan-Pern (2015) Perspective: Spectroscopy and kinetics of small gaseous Criegee intermediates. The Journal of Chemical Physics, 143 (2). 20901pp. doi:10.1063/1.4923165
Hoang Viet, Man, Derreumaux, Philippe, Nguyen, Phuong H. (2015) Communication: Multiple atomistic force fields in a single enhanced sampling simulation. The Journal of Chemical Physics, 143 (2). 21101pp. doi:10.1063/1.4926535
Forrey, Robert C. (2015) Self-consistent quantum kinetic theory of diatomic molecule formation. The Journal of Chemical Physics, 143 (2). 24101pp. doi:10.1063/1.4926325
Song, Jong-Won, Hirao, Kimihiko (2015) Efficient method of evaluation for Gaussian Hartree-Fock exchange operator for Gau-PBE functional. The Journal of Chemical Physics, 143 (2). 24102pp. doi:10.1063/1.4923264
Si, Wei, Wu, Chang-Qin (2015) Decoherence and energy relaxation in the quantum-classical dynamics for charge transport in organic semiconducting crystals: An instantaneous decoherence correction approach. The Journal of Chemical Physics, 143 (2). 24103pp. doi:10.1063/1.4926534
Gledhill, Jonathan D., Tozer, David J. (2015) System-dependent exchange–correlation functional with exact asymptotic potential and ΔHOMO ≈ − I. The Journal of Chemical Physics, 143 (2). 24104pp. doi:10.1063/1.4926397
Bennie, Simon J., Stella, Martina, Miller, Thomas F., Manby, Frederick R. (2015) Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set. The Journal of Chemical Physics, 143 (2). 24105pp. doi:10.1063/1.4923367
Baseggio, Oscar, Fronzoni, Giovanna, Stener, Mauro (2015) A new time dependent density functional algorithm for large systems and plasmons in metal clusters. The Journal of Chemical Physics, 143 (2). 24106pp. doi:10.1063/1.4923368
Tsuchimochi, Takashi, Welborn, Matthew, Van Voorhis, Troy (2015) Density matrix embedding in an antisymmetrized geminal power bath. The Journal of Chemical Physics, 143 (2). 24107pp. doi:10.1063/1.4926650
Di Sabatino, S., Berger, J. A., Reining, L., Romaniello, P. (2015) Reduced density-matrix functional theory: Correlation and spectroscopy. The Journal of Chemical Physics, 143 (2). 24108pp. doi:10.1063/1.4926327
Zaporozhets, Irina A., Ivanov, Vladimir V., Lyakh, Dmitry I., Adamowicz, Ludwik (2015) Discontinuities-free complete-active-space state–specific multi–reference coupled cluster theory for describing bond stretching and dissociation. The Journal of Chemical Physics, 143 (2). 24109pp. doi:10.1063/1.4926392
Verma, Sachin Dev, Vanden Bout, David A., Berg, Mark A. (2015) When is a single molecule heterogeneous? A multidimensional answer and its application to dynamics near the glass transition. The Journal of Chemical Physics, 143 (2). 24110pp. doi:10.1063/1.4926463
Kilgour, Michael, Segal, Dvira (2015) Charge transport in molecular junctions: From tunneling to hopping with the probe technique. The Journal of Chemical Physics, 143 (2). 24111pp. doi:10.1063/1.4926395
Franco-Pérez, Marco, Gåzquez, José L., Vela, Alberto (2015) Electronic chemical response indexes at finite temperature in the canonical ensemble. The Journal of Chemical Physics, 143 (2). 24112pp. doi:10.1063/1.4923260
Manzer, Samuel, Horn, Paul R., Mardirossian, Narbe, Head-Gordon, Martin (2015) Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm. The Journal of Chemical Physics, 143 (2). 24113pp. doi:10.1063/1.4923369
Wei, Zhiliang, Lin, Liangjie, Ye, Qimiao, Li, Jing, Cai, Shuhui, Chen, Zhong (2015) Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy. The Journal of Chemical Physics, 143 (2). 24201pp. doi:10.1063/1.4926538
Larrañaga, Miren, Bou-Ali, M. Mounir, Lizarraga, Ion, Madariaga, Jose Antonio, Santamaría, Carlos (2015) Soret coefficients of the ternary mixture 1,2,3,4-tetrahydronaphthalene + isobutylbenzene + n-dodecane. The Journal of Chemical Physics, 143 (2). 24202pp. doi:10.1063/1.4926654
Spielfiedel, Annie, Senent, Maria Luisa, Kalugina, Yulia, Scribano, Yohann, Balança, Christian, Lique, François, Feautrier, Nicole (2015) A new ab initio potential energy surface for the collisional excitation of N2H+ by H2. The Journal of Chemical Physics, 143 (2). 24301pp. doi:10.1063/1.4923440
Wan, Mingjie, Shao, Juxiang, Gao, Yufeng, Huang, Duohui, Yang, Junsheng, Cao, Qilong, Jin, Chengguo, Wang, Fanhou (2015) Laser cooling of MgCl and MgBr in theoretical approach. The Journal of Chemical Physics, 143 (2). 24302pp. doi:10.1063/1.4926389
Wang, Xiao-Gang, Carrington, Tucker (2015) The vibration-rotation-tunneling levels of N2–H2O and N2–D2O. The Journal of Chemical Physics, 143 (2). 24303pp. doi:10.1063/1.4923339
Chrysos, Michael, Dixneuf, Sophie, Rachet, Florent (2015) On the isotropic Raman spectrum of Ar2 and how to benchmark ab initio calculations of small atomic clusters: Paradox lost. The Journal of Chemical Physics, 143 (2). 24304pp. doi:10.1063/1.4923370
Ghosh, Aryya, Pal, Sourav, Vaval, Nayana (2015) Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method. The Journal of Chemical Physics, 143 (2). 24305pp. doi:10.1063/1.4926396
Milazzo, R. G., Mio, A. M., D’Arrigo, G., Grimaldi, M. G., Spinella, C., Rimini, E. (2015) Coalescence of silver clusters by immersion in diluted HF solution. The Journal of Chemical Physics, 143 (2). 24306pp. doi:10.1063/1.4926530
Rampino, Sergio, Storchi, Loriano, Belpassi, Leonardo (2015) Gold–superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study. The Journal of Chemical Physics, 143 (2). 24307pp. doi:10.1063/1.4926533
Habig, Daniel, Leicht, Daniel, Schwaab, Gerhard, Havenith, Martina (2015) Reassignment of Μ2,3 IR band of the allyl radical in liquid helium nanodroplets. The Journal of Chemical Physics, 143 (2). 24308pp. doi:10.1063/1.4923214
HĂŒbner, Olaf, Hornung, Julius, Himmel, Hans-Jörg (2015) The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study. The Journal of Chemical Physics, 143 (2). 24309pp. doi:10.1063/1.4926393
Shayeghi, A., SchÀfer, R., Rayner, D. M., Johnston, R. L., Fielicke, A. (2015) Charge-induced dipole vs. relativistically enhanced covalent interactions in Ar-tagged Au-Ag tetramers and pentamers. The Journal of Chemical Physics, 143 (2). 24310pp. doi:10.1063/1.4923255
Moreno, J., Dobryakov, A. L., Ioffe, I. N., Granovsky, A. A., Hecht, S., Kovalenko, S. A. (2015) Broadband transient absorption spectroscopy with 1- and 2-photon excitations: Relaxation paths and cross sections of a triphenylamine dye in solution. The Journal of Chemical Physics, 143 (2). 24311pp. doi:10.1063/1.4926574
King, Sarah B., Stephansen, Anne B., Yokoi, Yuki, Yandell, Margaret A., Kunin, Alice, Takayanagi, Toshiyuki, Neumark, Daniel M. (2015) Electron accommodation dynamics in the DNA base thymine. The Journal of Chemical Physics, 143 (2). 24312pp. doi:10.1063/1.4923343
Hoshino, M., LimĂŁo-Vieira, P., Suga, A., Kato, H., Ferreira da Silva, F., Blanco, F., GarcĂ­a, G., Tanaka, H. (2015) Crossed-beam experiment for the scattering of low- and intermediate-energy electrons from BF3: A comparative study with XF3 (X = C, N, and CH) molecules. The Journal of Chemical Physics, 143 (2). 24313pp. doi:10.1063/1.4926539
Sindt, Julien O., Camp, Philip J. (2015) Simulations of dipolar fluids using effective many-body isotropic interactions. The Journal of Chemical Physics, 143 (2). 24501pp. doi:10.1063/1.4923300
Koperwas, K., Grzybowski, A., Grzybowska, K., Wojnarowska, Z., Paluch, M. (2015) Effects of dynamic heterogeneity and density scaling of molecular dynamics on the relationship among thermodynamic coefficients at the glass transition. The Journal of Chemical Physics, 143 (2). 24502pp. doi:10.1063/1.4923005
Matsui, Hiroshi, Iwamoto, Kei, Mochizuki, Dai, Osada, Shimon, Asakura, Yusuke, Kuroda, Kazuyuki (2015) Proton tunneling in low dimensional cesium silicate LDS-1. The Journal of Chemical Physics, 143 (2). 24503pp. doi:10.1063/1.4926445
Orea, P., Romero-MartĂ­nez, A., Basurto, E., Vargas, C. A., Odriozola, G. (2015) Corresponding states law for a generalized Lennard-Jones potential. The Journal of Chemical Physics, 143 (2). 24504pp. doi:10.1063/1.4926464
Wang, Bu, Yu, Yingtian, Pignatelli, Isabella, Sant, Gaurav, Bauchy, Mathieu (2015) Nature of radiation-induced defects in quartz. The Journal of Chemical Physics, 143 (2). 24505pp. doi:10.1063/1.4926527
Devi, Reena, Srivastava, Sunita, Tankeshwar, K. (2015) The role of fluid-wall interactions on confined liquid diffusion using Mori theory. The Journal of Chemical Physics, 143 (2). 24506pp. doi:10.1063/1.4926619
Kikugawa, Gota, Nakano, Takeo, Ohara, Taku (2015) Hydrodynamic consideration of the finite size effect on the self-diffusion coefficient in a periodic rectangular parallelepiped system. The Journal of Chemical Physics, 143 (2). 24507pp. doi:10.1063/1.4926841
Lindenberg, E. K., Patey, G. N. (2015) Melting point trends and solid phase behaviors of model salts with ion size asymmetry and distributed cation charge. The Journal of Chemical Physics, 143 (2). 24508pp. doi:10.1063/1.4923344
Cockayne, Eric, Nelson, Eric B. (2015) Density functional theory meta-GGA + U study of water incorporation in the metal-organic framework material Cu-BTC. The Journal of Chemical Physics, 143 (2). 24701pp. doi:10.1063/1.4923461
Xu, Wen-Sheng, Freed, Karl F. (2015) Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory. The Journal of Chemical Physics, 143 (2). 24901pp. doi:10.1063/1.4926358
Xu, Wen-Sheng, Freed, Karl F. (2015) Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties. The Journal of Chemical Physics, 143 (2). 24902pp. doi:10.1063/1.4926359
Dong, Yunhong, Feng, Xiaoqing, Zhao, Nanrong, Hou, Zhonghuai (2015) Diffusion of nanoparticles in semidilute polymer solutions: A mode-coupling theory study. The Journal of Chemical Physics, 143 (2). 24903pp. doi:10.1063/1.4926412
Costa, Luciano T., Sun, Bing, Jeschull, Fabian, Brandell, Daniel (2015) Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend. The Journal of Chemical Physics, 143 (2). 24904pp. doi:10.1063/1.4926470
Dhakal, Subas, Sureshkumar, Radhakrishna (2015) Topology, length scales, and energetics of surfactant micelles. The Journal of Chemical Physics, 143 (2). 24905pp. doi:10.1063/1.4926422
Khan, Siddique, Haaga, Jason, Gunton, J. D. (2015) Kinetics of aggregation of an anisotropic model of self-assembling molecules. The Journal of Chemical Physics, 143 (2). 24906pp. doi:10.1063/1.4926537
Sridhar, Akshay, Srikanth, Bharath, Kumar, Amit, Dasmahapatra, Ashok Kumar (2015) Coarse-grain molecular dynamics study of fullerene transport across a cell membrane. The Journal of Chemical Physics, 143 (2). 24907pp. doi:10.1063/1.4926668
Li, Bing, Sun, Zhao-Yan, An, Li-Jia (2015) Effects of topology on the adsorption of singly tethered ring polymers to attractive surfaces. The Journal of Chemical Physics, 143 (2). 24908pp. doi:10.1063/1.4926775
Kulesza, Alexander, Daly, Steven, MacAleese, Luke, Antoine, Rodolphe, Dugourd, Philippe (2015) Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted amyloid-ÎČ peptides. The Journal of Chemical Physics, 143 (2). 25101pp. doi:10.1063/1.4926390
Bozorgui, Behnaz, Teimouri, Hamid, Kolomeisky, Anatoly B. (2015) Theoretical analysis of degradation mechanisms in the formation of morphogen gradients. The Journal of Chemical Physics, 143 (2). 25102pp. doi:10.1063/1.4926461
Contini, A., Tiana, G. (2015) A many-body term improves the accuracy of effective potentials based on protein coevolutionary data. The Journal of Chemical Physics, 143 (2). 25103pp. doi:10.1063/1.4926665
Brooke, James S. A., Bernath, Peter F., Western, Colin M. (2015) Note: Improved line strengths of rovibrational and rotational transitions within the X3Σ− ground state of NH. The Journal of Chemical Physics, 143 (2). 26101pp. doi:10.1063/1.4923422
Grubbs, G. S., Obenchain, Daniel A., Pickett, Herbert M., Novick, Stewart E. (2015) Erratum: “H2—AgCl: A spectroscopic study of a dihydrogen complex” [J. Chem. Phys. 141, 114306 (2014)]. The Journal of Chemical Physics, 143 (2). 29901pp. doi:10.1063/1.4926540
LĂłpez de Haro, Mariano, Tejero, Carlos F., Santos, AndrĂ©s, Yuste, Santos B., Fiumara, Giacomo, Saija, Franz (2015) Erratum: “Virial coefficients and demixing in the Asakura–Oosawa model” [J. Chem. Phys. 142, 014902 (2015)]. The Journal of Chemical Physics, 143 (2). 29902pp. doi:10.1063/1.4926462
Platt, Sean P., Attah, Isaac K., Aziz, Saadullah, El-Shall, M. Samy (2015) Publisher’s Note: “Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+‱ and naphthalene+‱-benzene: Evidence for stacked sandwich and T-shape structures” [J. Chem. Phys. 142, 191102 (2015)]. The Journal of Chemical Physics, 143 (2). 29903pp. doi:10.1063/1.4923286

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