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(2013, June) The Journal of Chemical Physics Vol. 138 (21) AIP Publishing

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Reference TypeJournal (issue)
JournalThe Journal of Chemical Physics
Year2013 (June)Volume138
Issue<   21   >
PublisherAIP Publishing
Mindat Ref. ID2360159Long-form Identifiermindat:1:5:2360159:2
GUID0
Full Reference(2013, June) The Journal of Chemical Physics Vol. 138 (21) AIP Publishing
Plain Text(2013, June) The Journal of Chemical Physics Vol. 138 (21) AIP Publishing
In(2013) The Journal of Chemical Physics Vol. 138. AIP Publishing

Contains

Haunschild, Robin, Cheng, Lan, Mukherjee, Debashis, Klopper, Wim (2013) Communication: Extension of a universal explicit electron correlation correction to general complete active spaces. The Journal of Chemical Physics, 138 (21). 211101pp. doi:10.1063/1.4810748
van Vörden, D., Lange, M., Schmuck, M., Schaffert, J., Cottin, M. C., Bobisch, C. A., Möller, R. (2013) Communication: Substrate induced dehydrogenation: Transformation of octa-ethyl-porphyrin into tetra-benzo-porphyrin. The Journal of Chemical Physics, 138 (21). 211102pp. doi:10.1063/1.4810879
Schmidt, Matthias, Brader, Joseph M. (2013) Power functional theory for Brownian dynamics. The Journal of Chemical Physics, 138 (21). 214101pp. doi:10.1063/1.4807586
Lankau, Timm, Yu, Chin-Hui (2013) A constrained reduced-dimensionality search algorithm to follow chemical reactions on potential energy surfaces. The Journal of Chemical Physics, 138 (21). 214102pp. doi:10.1063/1.4807743
Gåzquez, José L., Vela, Alberto, Chattaraj, Pratim K. (2013) Local hardness equalization and the principle of maximum hardness. The Journal of Chemical Physics, 138 (21). 214103pp. doi:10.1063/1.4807887
Bande, Annika (2013) Electron dynamics of interatomic Coulombic decay in quantum dots induced by a laser field. The Journal of Chemical Physics, 138 (21). 214104pp. doi:10.1063/1.4807611
Orea, Pedro, Odriozola, Gerardo (2013) Constant-force approach to discontinuous potentials. The Journal of Chemical Physics, 138 (21). 214105pp. doi:10.1063/1.4808038
Vad, Mads S., Pedersen, Morten N., NĂžrager, Anette, Jensen, Hans JĂžrgen Aa. (2013) Correlated four-component EPR g-tensors for doublet molecules. The Journal of Chemical Physics, 138 (21). 214106pp. doi:10.1063/1.4804352
Ramos-Cordoba, Eloy, Salvador, Pedro, Mayer, IstvĂĄn (2013) The atomic orbitals of the topological atom. The Journal of Chemical Physics, 138 (21). 214107pp. doi:10.1063/1.4807775
Markutsya, Sergiy, Devarajan, Ajitha, Baluyut, John Y., Windus, Theresa L., Gordon, Mark S., Lamm, Monica H. (2013) Evaluation of coarse-grained mapping schemes for polysaccharide chains in cellulose. The Journal of Chemical Physics, 138 (21). 214108pp. doi:10.1063/1.4808025
Chelli, Riccardo, Gellini, Cristina, Pietraperzia, Giangaetano, Giovannelli, Edoardo, Cardini, Gianni (2013) Path-breaking schemes for nonequilibrium free energy calculations. The Journal of Chemical Physics, 138 (21). 214109pp. doi:10.1063/1.4808037
Diggins, Patrick, Deserno, Markus (2013) Determining the bending modulus of a lipid membrane by simulating buckling. The Journal of Chemical Physics, 138 (21). 214110pp. doi:10.1063/1.4808077
Simine, Lena, Segal, Dvira (2013) Path-integral simulations with fermionic and bosonic reservoirs: Transport and dissipation in molecular electronic junctions. The Journal of Chemical Physics, 138 (21). 214111pp. doi:10.1063/1.4808108
Stei, Martin, von Vangerow, Johannes, Otto, Rico, Kelkar, Aditya H., Carrascosa, Eduardo, Best, Thorsten, Wester, Roland (2013) High resolution spatial map imaging of a gaseous target. The Journal of Chemical Physics, 138 (21). 214201pp. doi:10.1063/1.4807482
Jarrett, Jeremy W., Chandra, Manabendra, Knappenberger, Kenneth L. (2013) Optimization of nonlinear optical localization using electromagnetic surface fields (NOLES) imaging. The Journal of Chemical Physics, 138 (21). 214202pp. doi:10.1063/1.4808161
DeBord, J. Daniel, Verkhoturov, Stanislav V., Perez, Lisa M., North, Simon W., Hall, Michael B., Schweikert, Emile A. (2013) Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions. The Journal of Chemical Physics, 138 (21). 214301pp. doi:10.1063/1.4807602
Behyan, Shirin, Hu, Yongfeng, Urquhart, Stephen G. (2013) Sulfur 1s near edge x-ray absorption fine structure spectroscopy of thiophenic and aromatic thioether compounds. The Journal of Chemical Physics, 138 (21). 214302pp. doi:10.1063/1.4807604
Chen, Zhanghui, Jiang, Xiangwei, Li, Jingbo, Li, Shushen (2013) A sphere-cut-splice crossover for the evolution of cluster structures. The Journal of Chemical Physics, 138 (21). 214303pp. doi:10.1063/1.4807091
Mao, Bao-Hua, Chang, Rui, Lee, Sungsik, Axnanda, Stephanus, Crumlin, Ethan, Grass, Michael E., Wang, Sui-Dong, Vajda, Stefan, Liu, Zhi (2013) Oxidation and reduction of size-selected subnanometer Pd clusters on Al2O3 surface. The Journal of Chemical Physics, 138 (21). 214304pp. doi:10.1063/1.4807488
Hoshino, M., Horie, M., Kato, H., Blanco, F., GarcĂ­a, G., LimĂŁo-Vieira, P., Sullivan, J. P., Brunger, M. J., Tanaka, H. (2013) Cross sections for elastic scattering of electrons by CF3Cl, CF2Cl2, and CFCl3. The Journal of Chemical Physics, 138 (21). 214305pp. doi:10.1063/1.4807610
Monge-Palacios, M., Corchado, J. C., Espinosa-Garcia, J. (2013) Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface. The Journal of Chemical Physics, 138 (21). 214306pp. doi:10.1063/1.4808109
Gilchrist, A. J., Ritchie, G. A. D. (2013) Atomic orientation following predissociation of the C 3Πg Rydberg state of molecular oxygen. The Journal of Chemical Physics, 138 (21). 214307pp. doi:10.1063/1.4807761
Hikosaka, Y., Sawa, M., Nakano, M., Soejima, K., Lablanquie, P., Penent, F., Ito, K. (2013) Electron reemission processes following photoelectron recapture due to post-collision interaction in inner-shell photoionization of water molecules. The Journal of Chemical Physics, 138 (21). 214308pp. doi:10.1063/1.4808028
Ooe, Hiroki, Miyamoto, Yuki, Kuma, Susumu, Kawaguchi, Kentarou, Nakajima, Kyo, Nakano, Itsuo, Sasao, Noboru, Tang, Jian, Taniguchi, Takashi, Yoshimura, Motohiko (2013) Diffusion of hydrogen fluoride in solid parahydrogen. The Journal of Chemical Physics, 138 (21). 214309pp. doi:10.1063/1.4808035
Holzmeier, Fabian, Lang, Melanie, Hader, Kilian, Hemberger, Patrick, Fischer, Ingo (2013) H2CN+ and H2CNH+: New insight into the structure and dynamics from mass-selected threshold photoelectron spectra. The Journal of Chemical Physics, 138 (21). 214310pp. doi:10.1063/1.4808050
Fernandez-Corbaton, Ivan, Vidal, Xavier, Tischler, Nora, Molina-Terriza, Gabriel (2013) Necessary symmetry conditions for the rotation of light. The Journal of Chemical Physics, 138 (21). 214311pp. doi:10.1063/1.4808158
Volk, Alexander, Thaler, Philipp, Koch, Markus, Fisslthaler, Evelin, Grogger, Werner, Ernst, Wolfgang E. (2013) High resolution electron microscopy of Ag-clusters in crystalline and non-crystalline morphologies grown inside superfluid helium nanodroplets. The Journal of Chemical Physics, 138 (21). 214312pp. doi:10.1063/1.4807843
Ershova, Olga V., KƂos, Jacek, Harris, Joe P., Gardner, Adrian M., TamĂ©-Reyes, Victor M., Andrejeva, Anna, Alexander, Millard H., Besley, Nicholas A., Wright, Timothy G. (2013) Interaction of the NO 3pπ Rydberg state with Ar: Potential energy surfaces and spectroscopy. The Journal of Chemical Physics, 138 (21). 214313pp. doi:10.1063/1.4808027
Makarov, Nikolay S., Drobizhev, Mikhail, Wicks, Geoffrey, Makarova, Elena A., Lukyanets, Evgeny A., Rebane, Aleksander (2013) Alternative selection rules for one- and two-photon transitions in tribenzotetraazachlorin: Quasi-centrosymmetrical π-conjugation pathway of formally non-centrosymmetrical molecule. The Journal of Chemical Physics, 138 (21). 214314pp. doi:10.1063/1.4807594
Hong, Suc-Kyoung, Yoon, Jae Seok, Nam, Seog Woo (2013) Excitons and polaritons in quasi-molecular eigenbasis of the excitation hopping system interacting with a photon field. The Journal of Chemical Physics, 138 (21). 214315pp. doi:10.1063/1.4808110
Vlaming, S. M., Malyshev, V. A., Eisfeld, A., Knoester, J. (2013) Subdiffusive exciton motion in systems with heavy-tailed disorder. The Journal of Chemical Physics, 138 (21). 214316pp. doi:10.1063/1.4808155
Palmer, Michael H., Hoffmann, SĂžren VrĂžnning, Jones, Nykola C., Smith, Elliott R., Lichtenberger, Dennis L. (2013) The electronic states of pyridine-N-oxide studied by VUV photoabsorption andab initioconfiguration interaction computations. The Journal of Chemical Physics, 138 (21). 214317pp. doi:10.1063/1.4807841
Sillrén, Per, Swenson, Jan, Mattsson, Johan, Bowron, Daniel, Matic, Aleksandar (2013) The temperature dependent structure of liquid 1-propanol as studied by neutron diffraction and EPSR simulations. The Journal of Chemical Physics, 138 (21). 214501pp. doi:10.1063/1.4807863
Shagieva, F. M., Boinovich, L. B. (2013) The effects of halide anions on the dielectric response of potassium halide solutions in visible, UV and far UV region. The Journal of Chemical Physics, 138 (21). 214502pp. doi:10.1063/1.4807856
Fan, Jing, Duan, Defang, Jin, Xilian, Bao, Kuo, Liu, Bingbing, Cui, Tian (2013) Structure determination of ultra dense magnesium borohydride: A first-principles study. The Journal of Chemical Physics, 138 (21). 214503pp. doi:10.1063/1.4807851
Limmer, David T., Chandler, David (2013) The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II. The Journal of Chemical Physics, 138 (21). 214504pp. doi:10.1063/1.4807479
Li, Qian, Li, Shourui, Wang, Kai, Li, Xiaodong, Liu, Jing, Liu, Bingbing, Zou, Guangtian, Zou, Bo (2013) Pressure-induced isosymmetric phase transition in sulfamic acid: A combined Raman and x-ray diffraction study. The Journal of Chemical Physics, 138 (21). 214505pp. doi:10.1063/1.4807864
HĂ©doux, Alain, Guinet, Yannick, Paccou, L., Derollez, P., DanĂšde, F. (2013) Vibrational and structural properties of amorphous n-butanol: A complementary Raman spectroscopy and X-ray diffraction study. The Journal of Chemical Physics, 138 (21). 214506pp. doi:10.1063/1.4808159
Chattoraj, Shyamtanu, Chowdhury, Rajdeep, Ghosh, Shirsendu, Bhattacharyya, Kankan (2013) Heterogeneity in binary mixtures of dimethyl sulfoxide and glycerol: Fluorescence correlation spectroscopy. The Journal of Chemical Physics, 138 (21). 214507pp. doi:10.1063/1.4808217
Guo, Qiumin, Liu, Yawei, Jiang, Guangfeng, Zhang, Xianren (2013) Cooperative effect in nucleation: Nanosized seed particles jointly nucleate vapor-liquid transitions. The Journal of Chemical Physics, 138 (21). 214701pp. doi:10.1063/1.4807726
Calero, C., Gordillo, M. C., MartĂ­, J. (2013) Size effects on water adsorbed on hydrophobic probes at the nanometric scale. The Journal of Chemical Physics, 138 (21). 214702pp. doi:10.1063/1.4807092
Ibagon, Ingrid, Bier, Markus, Dietrich, S. (2013) Wetting in electrolyte solutions. The Journal of Chemical Physics, 138 (21). 214703pp. doi:10.1063/1.4807760
Cieƛla, MichaƂ, Barbasz, Jakub (2013) Random packing of spheres in Menger sponge. The Journal of Chemical Physics, 138 (21). 214704pp. doi:10.1063/1.4807835
Heuer, Andreas, Jana, Pritam Kumar, Lied, Fabian (2013) Pattern formation of anisotropic molecules on surfaces under non-equilibrium conditions as described by a minimum model. The Journal of Chemical Physics, 138 (21). 214705pp. doi:10.1063/1.4808076
Lacivita, V., Erba, A., NoĂ«l, Y., Orlando, R., D’Arco, Ph., Dovesi, R. (2013) Zinc oxide nanotubes: An ab initio investigation of their structural, vibrational, elastic, and dielectric properties. The Journal of Chemical Physics, 138 (21). 214706pp. doi:10.1063/1.4808156
Jiang, Yangwei, Zhang, Dong, Jin, Yankang, Zhang, Linxi (2013) Self-assembly of binary nanoparticles on soft elastic shells. The Journal of Chemical Physics, 138 (21). 214901pp. doi:10.1063/1.4807592
Feng, Ligang, Yang, Jingfa, Zhao, Jiang, Wang, Dapeng, Koynov, Kaloian, Butt, Hans-JĂŒrgen (2013) Fluorescence correlation spectroscopy of repulsive systems: Theory, simulation, and experiment. The Journal of Chemical Physics, 138 (21). 214902pp. doi:10.1063/1.4807860
Krobath, Heinrich, Shakhnovich, Eugene I., FaĂ­sca, PatrĂ­cia F. N. (2013) Structural and energetic determinants of co-translational folding. The Journal of Chemical Physics, 138 (21). 215101pp. doi:10.1063/1.4808044
Mojumdar, Supratik Sen, Chowdhury, Rajdeep, Mandal, Amit Kumar, Bhattacharyya, Kankan (2013) In what time scale proton transfer takes place in a live CHO cell?. The Journal of Chemical Physics, 138 (21). 215102pp. doi:10.1063/1.4807862
Borkar, Aditi N., De Simone, Alfonso, Montalvao, Rinaldo W., Vendruscolo, Michele (2013) A method of determining RNA conformational ensembles using structure-based calculations of residual dipolar couplings. The Journal of Chemical Physics, 138 (21). 215103pp. doi:10.1063/1.4804301
Schwabe, Tobias (2013) Comment on “Solvatochromic shifts of polar and non-polar molecules in ambient and supercritical water: A sequential quantum mechanics/molecular mechanics study including solute-solvent electron exchange-correlation” [J. Chem. Phys. 137, 214504 (2012)]. The Journal of Chemical Physics, 138 (21). 217101pp. doi:10.1063/1.4807839
Ma, Haibo, Ma, Yingjin (2013) Response to “Comment on ‘Solvatochromic shifts of polar and non-polar molecules in ambient and supercritical water: A sequential quantum mechanics/molecular mechanics study including solute-solvent electron exchange-correlation”’ [J. Chem. Phys. 138, 217101 (2013)]. The Journal of Chemical Physics, 138 (21). 217102pp. doi:10.1063/1.4807840
Ayouz, Mehdi, Babikov, Dmitri (2013) Publisher's Note: “Global permutationally invariant potential energy surface for ozone forming reaction” [J. Chem. Phys. 138, 164311 (2013)]. The Journal of Chemical Physics, 138 (21). 219901pp. doi:10.1063/1.4809589

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