(2012, January) The Journal of Chemical Physics Vol. 136 (2) AIP Publishing

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Reference Type	Journal (issue)
Journal	The Journal of Chemical Physics
Year	2012 (January)	Volume	136
Issue	< 2 >
Publisher	AIP Publishing
Mindat Ref. ID	2351543	Long-form Identifier	mindat:1:5:2351543:5
GUID	0
Full Reference	(2012, January) The Journal of Chemical Physics Vol. 136 (2) AIP Publishing
Plain Text	(2012, January) The Journal of Chemical Physics Vol. 136 (2) AIP Publishing
In	(2012) The Journal of Chemical Physics Vol. 136. AIP Publishing

Contains

	Reid, James C., Evans, Denis J., Searles, Debra J. (2012) Communication: Beyond Boltzmann's H-theorem: Demonstration of the relaxation theorem for a non-monotonic approach to equilibrium. The Journal of Chemical Physics, 136 (2). 21101pp. doi:10.1063/1.3675847
	Gurashkin, A. L., Starostin, A. A., Ermakov, G. V., Skripov, P. V. (2012) Communication: High speed optical investigations of a character of boiling-up onset. The Journal of Chemical Physics, 136 (2). 21102pp. doi:10.1063/1.3678831
	Watson, Mark A., Rappoport, Dmitrij, Lee, Elizabeth M. Y., Olivares-Amaya, Roberto, Aspuru-Guzik, Alán (2012) Electronic structure calculations in arbitrary electrostatic environments. The Journal of Chemical Physics, 136 (2). 24101pp. doi:10.1063/1.3670417
	Sanghi, T., Aluru, N. R. (2012) Coarse-grained potential models for structural prediction of carbon dioxide (CO2) in confined environments. The Journal of Chemical Physics, 136 (2). 24102pp. doi:10.1063/1.3674979
	Azar, R. Julian, Head-Gordon, Martin (2012) An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level. The Journal of Chemical Physics, 136 (2). 24103pp. doi:10.1063/1.3674992
	Ghoufi, A., Malfreyt, P. (2012) Calculation of the surface tension and pressure components from a non-exponential perturbation method of the thermodynamic route. The Journal of Chemical Physics, 136 (2). 24104pp. doi:10.1063/1.3676056
	Mao, Shuneng, Cheng, Lan, Liu, Wenjian, Mukherjee, Debashis (2012) A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments. The Journal of Chemical Physics, 136 (2). 24105pp. doi:10.1063/1.3672083
	Mao, Shuneng, Cheng, Lan, Liu, Wenjian, Mukherjee, Debashis (2012) A spin-adapted size-extensive state-specific multi-reference perturbation theory with various partitioning schemes. II. Molecular applications. The Journal of Chemical Physics, 136 (2). 24106pp. doi:10.1063/1.3672085
	Li, Zhendong, Liu, Wenjian (2012) Theoretical and numerical assessments of spin-flip time-dependent density functional theory. The Journal of Chemical Physics, 136 (2). 24107pp. doi:10.1063/1.3676736
	Mitrushchenkov, Alexander O. (2012) A new general Renner-Teller (including ɛ ≳ 1) spectroscopic formalism for triatomic molecules. The Journal of Chemical Physics, 136 (2). 24108pp. doi:10.1063/1.3672162
	Seibt, Joachim, Eisfeld, Alexander (2012) Intermolecular torsional motion of a π-aggregated dimer probed by two-dimensional electronic spectroscopy. The Journal of Chemical Physics, 136 (2). 24109pp. doi:10.1063/1.3674993
	Chang, Yao-Wen, Jin, Bih-Yaw (2012) Correlation effects of π electrons on the band structures of conjugated polymers using the self-consistent GW approximation with vertex corrections. The Journal of Chemical Physics, 136 (2). 24110pp. doi:10.1063/1.3675640
	*Janesko, Benjamin G., Aguero, Austin (2012) Nonspherical model density matrices for Rung 3.5 density functionals. The Journal of Chemical Physics, 136 (2). 24111pp. doi:10.1063/1.3675681*
	Hossein-Nejad, Hoda, Olaya-Castro, Alexandra, Scholes, Gregory D. (2012) Phonon-mediated path-interference in electronic energy transfer. The Journal of Chemical Physics, 136 (2). 24112pp. doi:10.1063/1.3675844
	Ma, Yingjin, Liu, Yang, Ma, Haibo (2012) A new fragment-based approach for calculating electronic excitation energies of large systems. The Journal of Chemical Physics, 136 (2). 24113pp. doi:10.1063/1.3675915
	*Barnes, George L., Kellman, Michael E. (2012) Visualizing the zero order basis of the spectroscopic Hamiltonian. The Journal of Chemical Physics, 136 (2). 24114pp. doi:10.1063/1.3674994*
	Domysławska, J., Wójtewicz, S., Lisak, D., Cygan, A., Ozimek, F., Stec, K., Radzewicz, Cz., Trawiński, R. S., Ciuryło, R. (2012) Cavity ring-down spectroscopy of the oxygen B-band with absolute frequency reference to the optical frequency comb. The Journal of Chemical Physics, 136 (2). 24201pp. doi:10.1063/1.3675903
	Tam, Nguyen Minh, Ngan, Vu Thi, de Haeck, Jorg, Bhattacharyya, Soumen, Thuy Le, Hai, Janssens, Ewald, Lievens, Peter, Tho Nguyen, Minh (2012) Singly and doubly lithium doped silicon clusters: Geometrical and electronic structures and ionization energies. The Journal of Chemical Physics, 136 (2). 24301pp. doi:10.1063/1.3672164
	Baranowska-Łączkowska, Angelika, Łączkowski, Krzysztof Z., Fernández, Berta (2012) Accurate calculation of the intensity dependence of the refractive index using polarized basis sets. The Journal of Chemical Physics, 136 (2). 24302pp. doi:10.1063/1.3674286
	*Calvo, F., Yurtsever, E., Wales, D. J. (2012) Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps. The Journal of Chemical Physics, 136 (2). 24303pp. doi:10.1063/1.3673318*
	Builth-Williams, J. D., Bellm, S. M., Jones, D. B., Chaluvadi, Hari, Madison, D. H., Ning, C. G., Lohmann, B., Brunger, M. J. (2012) Experimental and theoretical investigation of the triple differential cross section for electron impact ionization of pyrimidine molecules. The Journal of Chemical Physics, 136 (2). 24304pp. doi:10.1063/1.3675167
	*Penotti, Fabio E. (2012) Electronic structure and bonding of HBeLi, HmgLi, and HCaLi in their bent equilibrium geometries. The Journal of Chemical Physics, 136 (2). 24305pp. doi:10.1063/1.3673539*
	Ahn, Doo-Sik, Lee, Jeongmook, Choon Park, Young, Sup Lee, Yoon, Kyu Kim, Sang (2012) Nuclear motion captured by the slow electron velocity imaging technique in the tunnelling predissociation of the S1 methylamine. The Journal of Chemical Physics, 136 (2). 24306pp. doi:10.1063/1.3675566
	*McCaffery, Anthony J., Marsh, Richard J. (2012) Competitive partitioning of rotational energy in gas ensemble equilibration. The Journal of Chemical Physics, 136 (2). 24307pp. doi:10.1063/1.3675638*
	Chin, Chih-Hao, Lee, Shih-Huang (2012) Comparison of two-body and three-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene. The Journal of Chemical Physics, 136 (2). 24308pp. doi:10.1063/1.3675682
	*Yoon, Young Wook, Lee, Sang Kuk (2012) Spectroscopic observation of jet-cooled 2-fluoro-m-xylyl radical. The Journal of Chemical Physics, 136 (2). 24309pp. doi:10.1063/1.3675837*
	*Pirali, O., Boudon, V., Oomens, J., Vervloet, M. (2012) Rotationally resolved infrared spectroscopy of adamantane. The Journal of Chemical Physics, 136 (2). 24310pp. doi:10.1063/1.3666853*
	He, Hai-Xiang, Lu, Rui-Feng, Zhang, Pei-Yu, Han, Ke-Li, He, Guo-Zhong (2012) Dissociation and ionization competing processes for H2+ in intense laser field: Which one is larger?. The Journal of Chemical Physics, 136 (2). 24311pp. doi:10.1063/1.3676065
	Amft, Martin, Johansson, Börje, Skorodumova, Natalia V. (2012) Influence of the cluster dimensionality on the binding behavior of CO and O2 on Au13. The Journal of Chemical Physics, 136 (2). 24312pp. doi:10.1063/1.3676247
	Portnov, Alexander, Epshtein, Michael, Rosenwaks, Salman, Bar, Ilana (2012) Vibrational dynamics of pyrrole via frequency-domain spectroscopy. The Journal of Chemical Physics, 136 (2). 24313pp. doi:10.1063/1.3673614
	Wu, Yu-Ning, Schmidt, Martin, Leygnier, Jérôme, Cheng, Hai-Ping, Masson, Albert, Bréchignac, Catherine (2012) Adsorption of small molecules on silver clusters. The Journal of Chemical Physics, 136 (2). 24314pp. doi:10.1063/1.3673616
	Champagne, Benoît (2012) Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound: Summation-over-states analysis and interplay with diradical characters. The Journal of Chemical Physics, 136 (2). 24315pp. doi:10.1063/1.3675684
	*Ben Houria, A., Yazidi, O., Jaidane, N., Senent, M. L., Hochlaf, M. (2012) Electronic structure of the [MgO3]+ cation. The Journal of Chemical Physics, 136 (2). 24316pp. doi:10.1063/1.3674164*
	Kiran, B., Kandalam, Anil K., Rallabandi, Rameshu, Koirala, Pratik, Li, Xiang, Tang, Xin, Wang, Yi, Fairbrother, Howard, Gantefoer, Gerd, Bowen, Kit (2012) (PbS)32: A baby crystal. The Journal of Chemical Physics, 136 (2). 24317pp. doi:10.1063/1.3672166
	Ness, K. F., Robson, R. E., Brunger, M. J., White, R. D. (2012) Transport coefficients and cross sections for electrons in water vapour: Comparison of cross section sets using an improved Boltzmann equation solution. The Journal of Chemical Physics, 136 (2). 24318pp. doi:10.1063/1.3675921
	El Khoury, L., Journel, L., Guillemin, R., Carniato, S., Stolte, W. C., Marin, T., Lindle, D. W., Simon, M. (2012) Resonant inelastic x-ray scattering of methyl chloride at the chlorine K edge. The Journal of Chemical Physics, 136 (2). 24319pp. doi:10.1063/1.3675685
	Garg, Manish, Tiwari, Ashwani K., Mathur, Deepak (2012) Quantum dynamics of proton migration in H2O dications: H2+ formation on ultrafast timescales. The Journal of Chemical Physics, 136 (2). 24320pp. doi:10.1063/1.3676086
	Bhattacharya, Atanu, Guo, Yuanqing, Bernstein, Elliot R. (2012) A comparison of the decomposition of electronically excited nitro-containing molecules with energetic moieties C–NO2, N–NO2, and O–NO2. The Journal of Chemical Physics, 136 (2). 24321pp. doi:10.1063/1.3668139
	Rajagopala Reddy, S., Mahapatra, S. (2012) Theoretical study of photodetachment processes of anionic boron clusters. I. Structure. The Journal of Chemical Physics, 136 (2). 24322pp. doi:10.1063/1.3675165
	Reddy, S. Rajagopala, Mahapatra, S. (2012) Theoretical study of photodetachment processes of anionic boron clusters. II. Dynamics. The Journal of Chemical Physics, 136 (2). 24323pp. doi:10.1063/1.3675166
	Dora, Amar, Bryjko, Lilianna, van Mourik, Tanja, Tennyson, Jonathan (2012) Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method. The Journal of Chemical Physics, 136 (2). 24324pp. doi:10.1063/1.3675448
	Eun, Changsun, Berkowitz, Max L. (2012) Molecular dynamics simulation study of the water-mediated interaction between zwitterionic and charged surfaces. The Journal of Chemical Physics, 136 (2). 24501pp. doi:10.1063/1.3673960
	*Lichtner, K., Archer, A. J., Klapp, S. H. L. (2012) Phase separation dynamics in a two-dimensional magnetic mixture. The Journal of Chemical Physics, 136 (2). 24502pp. doi:10.1063/1.3674270*
	Qin, Zhen-Xing, Zhang, Jian-Bo, Troyan, Ivan, Palasyuk, Taras, Eremets, Mikhail, Chen, Xiao-Jia (2012) High-pressure study of tetramethylsilane by Raman spectroscopy. The Journal of Chemical Physics, 136 (2). 24503pp. doi:10.1063/1.3676720
	Flammini, D., Pietropaolo, A., Senesi, R., Andreani, C., McBride, F., Hodgson, A., Adams, M. A., Lin, L., Car, R. (2012) Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data. The Journal of Chemical Physics, 136 (2). 24504pp. doi:10.1063/1.3675838
	Giuliano, Barbara Michela, Reva, Igor, Lapinski, Leszek, Fausto, Rui (2012) Infrared spectra and ultraviolet-tunable laser induced photochemistry of matrix-isolated phenol and phenol-d5. The Journal of Chemical Physics, 136 (2). 24505pp. doi:10.1063/1.3666018
	Castet, Frédéric, Bogdan, Elena, Plaquet, Aurélie, Ducasse, Laurent, Champagne, Benoît, Rodriguez, Vincent (2012) Reference molecules for nonlinear optics: A joint experimental and theoretical investigation. The Journal of Chemical Physics, 136 (2). 24506pp. doi:10.1063/1.3675848
	Gapinski, Jacek, Nägele, Gerhard, Patkowski, Adam (2012) Freezing lines of colloidal Yukawa spheres. I. A Rogers-Young integral equation study. The Journal of Chemical Physics, 136 (2). 24507pp. doi:10.1063/1.3675607
	Qin, Zhihui, Liu, Cunding, Chen, Jian, Guo, Qinmin, Yu, Yinghui, Cao, Gengyu (2012) Molecular orientation and lattice ordering of C60 molecules on the polar FeO/Pt(111) surface. The Journal of Chemical Physics, 136 (2). 24701pp. doi:10.1063/1.3676087
	*Xue, Yongqiang (2012) Water monomer interaction with gold nanoclusters from van der Waals density functional theory. The Journal of Chemical Physics, 136 (2). 24702pp. doi:10.1063/1.3675494*
	Itoh, Tamitake, Iga, Mitsuhiro, Tamaru, Hiroharu, Yoshida, Ken-ichi, Biju, Vasudevanpillai, Ishikawa, Mitsuru (2012) Quantitative evaluation of blinking in surface enhanced resonance Raman scattering and fluorescence by electromagnetic mechanism. The Journal of Chemical Physics, 136 (2). 24703pp. doi:10.1063/1.3675567
	Lied, Fabian, Mues, Tanja, Wang, Wenchong, Chi, Lifeng, Heuer, Andreas (2012) Different growth regimes on prepatterned surfaces: Consistent evidence from simulations and experiments. The Journal of Chemical Physics, 136 (2). 24704pp. doi:10.1063/1.3676257
	Kumar Kannam, Sridhar, Todd, B. D., Hansen, J. S., Daivis, Peter J. (2012) Slip length of water on graphene: Limitations of non-equilibrium molecular dynamics simulations. The Journal of Chemical Physics, 136 (2). 24705pp. doi:10.1063/1.3675904
	Suzuki, Satoshi, Tsuneda, Takao, Hirao, Kimihiko (2012) A theoretical investigation on photocatalytic oxidation on the TiO2 surface. The Journal of Chemical Physics, 136 (2). 24706pp. doi:10.1063/1.3676261
	Hsu, Hsiao-Ping, Binder, Kurt (2012) Stretching semiflexible polymer chains: Evidence for the importance of excluded volume effects from Monte Carlo simulation. The Journal of Chemical Physics, 136 (2). 24901pp. doi:10.1063/1.3674303
	*Cifra, Peter (2012) Weak-to-strong confinement transition of semi-flexible macromolecules in slit and in channel. The Journal of Chemical Physics, 136 (2). 24902pp. doi:10.1063/1.3674304*
	Riggleman, Robert A., Kumar, Rajeev, Fredrickson, Glenn H. (2012) Investigation of the interfacial tension of complex coacervates using field-theoretic simulations. The Journal of Chemical Physics, 136 (2). 24903pp. doi:10.1063/1.3674305
	*Tse, Ying-Lung Steve, Andersen, Hans C. (2012) A lattice model of the translational dynamics of nonrotating rigid rods. The Journal of Chemical Physics, 136 (2). 24904pp. doi:10.1063/1.3673791*
	*Asfaw, Mesfin, Shiferaw, Yohannes (2012) Exploring the dynamics of dimer crossing over a Kramers type potential. The Journal of Chemical Physics, 136 (2). 25101pp. doi:10.1063/1.3675920*
	*Medalion, Shlomi, Rabin, Yitzhak (2012) On binding of DNA-bending proteins to DNA minicircles. The Journal of Chemical Physics, 136 (2). 25102pp. doi:10.1063/1.3674978*
	Yang, Zaixing, Wang, Zhigang, Tian, Xingling, Xiu, Peng, Zhou, Ruhong (2012) Amino acid analogues bind to carbon nanotube via π-π interactions: Comparison of molecular mechanical and quantum mechanical calculations. The Journal of Chemical Physics, 136 (2). 25103pp. doi:10.1063/1.3675486
	Seidl, Markus, Karsai, Ferenc, Loerting, Thomas, Zifferer, Gerhard (2012) Note: Molecular dynamics studies of high-density amorphous ice: Influence of long-range Coulomb interactions. The Journal of Chemical Physics, 136 (2). 26101pp. doi:10.1063/1.3676058
	Minh, David D. L., Chodera, John D. (2012) Erratum: “Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: Theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments” [J. Chem. Phys. 134, 024111 (2011)]. The Journal of Chemical Physics, 136 (2). 29901pp. doi:10.1063/1.3673567

	*(2012, January) The Journal of Chemical Physics* Vol. 136 (1) AIP Publishing**
	*(2012, January) The Journal of Chemical Physics* Vol. 136 (3) AIP Publishing**
	*(2012, January) The Journal of Chemical Physics* Vol. 136 (4) AIP Publishing**
	*(2012, March) The Journal of Chemical Physics* Vol. 136 (10) AIP Publishing**
	*(2012, March) The Journal of Chemical Physics* Vol. 136 (11) AIP Publishing**
	*(2012, March) The Journal of Chemical Physics* Vol. 136 (12) AIP Publishing**
	*(2012, April) The Journal of Chemical Physics* Vol. 136 (13) AIP Publishing**
	*(2012, April) The Journal of Chemical Physics* Vol. 136 (14) AIP Publishing**
	*(2012, April) The Journal of Chemical Physics* Vol. 136 (15) AIP Publishing**
	*(2012, April) The Journal of Chemical Physics* Vol. 136 (16) AIP Publishing**
	*(2012, May) The Journal of Chemical Physics* Vol. 136 (17) AIP Publishing**

(2012, January) The Journal of Chemical Physics Vol. 136 (2) AIP Publishing

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