Fast motion in molecular solids at low temperatures: Evidence from a pulsed electron paramagnetic resonance study of nitroxyl radical relaxation (English)
- New search for: Kveder, Marina
- New search for: Kveder, Marina
- New search for: Jokic´, Milan
- New search for: Rakvin, Boris
In:
The journal of chemical physics
;
134
, 4
; 44531-44532
;
2011
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ISSN:
- Article (Journal) / Print
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Title:Fast motion in molecular solids at low temperatures: Evidence from a pulsed electron paramagnetic resonance study of nitroxyl radical relaxation
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Contributors:
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Published in:The journal of chemical physics ; 134, 4 ; 44531-44532
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2011
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 134, Issue 4
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 41101
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Communication: An exact short-time solver for the time-dependent Schro¨dinger equationSun, Zhigang et al. | 2011
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Communication: Highest occupied molecular orbital–lowest unoccupied molecular orbital gaps of doped silicon clusters from core level spectroscopyLau, J. T. / Vogel, M. / Langenberg, A. / Hirsch, K. / Rittmann, J. / Zamudio-Bayer, V. / Möller, T. / Issendorff, B. von et al. | 2011
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Communication: Thermodynamic scaling of the Debye process in primary alcoholsPawlus, Sebastian / Paluch, Marian / Grzybowski, Andrzej et al. | 2011
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Communication: Reactions and adsorption at the surface of silver nanoparticles probed by second harmonic generationGan, Wei / Gonella, Grazia / Zhang, Min / Dai, Hai-Lung et al. | 2011
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Communication: Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome cKarino, Yasuhito / Matubayasi, Nobuyuki et al. | 2011
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On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: Incorporation of higher order termsDillon, Joseph / Yarkony, David R. / Schuurman, Michael S. et al. | 2011
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Accurate all-electron correlation energies for the closed-shell atoms from Ar to Rn and their relationship to the corresponding MP2 correlation energiesMcCarthy, Shane P. / Thakkar, Ajit J. et al. | 2011
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Toward making the mean spherical approximation of primitive model electrolytes analytic: An analytic approximation of the MSA screening parameterGillespie, Dirk et al. | 2011
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Order parameters for macromolecules: Application to multiscale simulationSingharoy, A. / Cheluvaraja, S. / Ortoleva, P. et al. | 2011
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Ionic solvation studied by image-charge reaction field methodLin, Yuchun / Baumketner, Andrij / Song, Wei / Deng, Shaozhong / Jacobs, Donald / Cai, Wei et al. | 2011
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Efficient moves for global geometry optimization methods and their application to binary systemsSicher, Michael / Mohr, Stephan / Goedecker, Stefan et al. | 2011
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Imaginary time Gaussian dynamics of the Ar3 clusterCartarius, Holger / Pollak, Eli et al. | 2011
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Exciton–polariton transmission in quantum dot waveguides and a new transmission path due to thermal relaxationKubota, Yoji / Nobusada, Katsuyuki et al. | 2011
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Thermodynamical approach to sympathetic cooling of neutral particlesBorisenok, Sergey / Rozhdestvensky, Yuri et al. | 2011
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Automated estimation of rare event probabilities in biochemical systemsDaigle, Bernie J. / Roh, Min K. / Gillespie, Dan T. / Petzold, Linda R. et al. | 2011
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Effects of finite size nuclei in relativistic four-component calculations of hyperfine structureMalkin, Elena / Repiský, Michal / Komorovský, Stanislav / Mach, Pavel / Malkina, Olga L. / Malkin, Vladimir G. et al. | 2011
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Ab initio mass tensor molecular dynamicsTsuchida, Eiji et al. | 2011
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Evaluation of the performance of single root multireference coupled cluster method for ground and excited states, and its application to geometry optimizationMahapatra, Uttam Sinha / Chattopadhyay, Sudip et al. | 2011
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Molecular-orbital-free algorithm for the excited-state force in time-dependent density functional theoryLiu, Jie / Liang, Wan Zhen et al. | 2011
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Fluid–solid transition in hard hypersphere systemsEstrada, C. D. / Robles, M. et al. | 2011
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Designing the plasmonic response of shell nanoparticles: Spectral representationRomán-Velázquez, Carlos E. / Noguez, Cecilia et al. | 2011
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A generalized-gradient approximation exchange hole model for dispersion coefficientsSteinmann, Stephan N. / Corminboeuf, Clemence et al. | 2011
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Critical comparison of electrode models in density functional theory based quantum transport calculationsJacob, D. / Palacios, J. J. et al. | 2011
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Two-channel conduction through polyacenes—Extension of the source–sink potential method to multichannel coupling to leadsDumont, Randall S. et al. | 2011
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An algorithm for calculating atomic D states with explicitly correlated Gaussian functionsSharkey, Keeper L. / Bubin, Sergiy / Adamowicz, Ludwik et al. | 2011
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Super-fermion representation of quantum kinetic equations for the electron transport problemDzhioev, Alan A. / Kosov, D. S. et al. | 2011
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Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanicsDunlap, Brett I. / Schweigert, Igor V. et al. | 2011
- 44123
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Tensor factorizations of local second-order Mo-ller-Plesset theoryYang, Jun et al. | 2011
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Velocity scaling for optimizing replica exchange molecular dynamicsKouza, Maksim / Hansmann, Ulrich H. E. et al. | 2011
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Electrokinetic motion of a charged colloidal sphere in a spherical cavity with magnetic fieldsHsieh, Tzu H. / Keh, Huan J. et al. | 2011
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Colored non-Gaussian noise driven open systems: Generalization of Kramers’ theory with a unified approachBaura, Alendu / Sen, Monoj Kumar / Goswami, Gurupada / Bag, Bidhan Chandra et al. | 2011
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Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinateMiyata, Tatsuhiko / Ikuta, Yasuhiro / Hirata, Fumio et al. | 2011
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A multidimensional pseudospectral method for optimal control of quantum ensemblesRuths, Justin / Li, Jr-Shin et al. | 2011
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Integral tau methods for stiff stochastic chemical systemsYang, Yushu / Rathinam, Muruhan / Shen, Jinglai et al. | 2011
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A tight binding model for waterPaxton, A. T. / Kohanoff, J. J. et al. | 2011
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Bimolecular reaction rates from ring polymer molecular dynamics: Application to H + CH4→ H2 + CH3Suleimanov, Yury V. / Collepardo-Guevara, Rosana / Manolopoulos, David E. et al. | 2011
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Application of the projection operator formalism to non-Hamiltonian dynamicsXing, Jianhua / Kim, K. S. et al. | 2011
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Modeling gas permeation through membranes by kinetic Monte Carlo: Applications to H2, O2, and N2 in hydrated Nafion®Dorenbos, Gert / Morohoshi, Kei et al. | 2011
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The coupled cluster approach with a hybrid treatment of connected triple excitations based on the restricted Hartree–Fock referenceShen, Jun / Kou, Zhuangfei / Xu, Enhua / Li, Shuhua et al. | 2011
-
Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon–Heiles Hamiltonian and to pyrazineVendrell, Oriol / Meyer, Hans-Dieter et al. | 2011
-
Nonequilibrium molecular transport photoinduced by potential energy fluctuationsDekhtyar, Marina L. / Rozenbaum, Viktor M. et al. | 2011
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Phase-field modeling of two-dimensional solute precipitation/dissolution: Solid fingers and diffusion-limited precipitationXu, Zhijie / Meakin, Paul et al. | 2011
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A comparison of the Liptay theory of electroabsorption spectroscopy with the sum-over-state model and its modification for the degenerate caseSaito, Keisuke / Yanagi, Kazuhiro / Cogdell, Richard. J. / Hashimoto, Hideki et al. | 2011
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Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon moleculesHolm, A. I. S. / Johansson, H. A. B. / Cederquist, H. / Zettergren, H. et al. | 2011
- 44302
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Shedding light on a dark state: The energetically lowest quintet state of C2Bornhauser, P. et al. | 2011
-
Ab initio configuration interaction study of the B- and C-band photodissociation of methyl iodideAlekseyev, Aleksey B. / Liebermann, Heinz-Peter / Buenker, Robert J. et al. | 2011
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Analysis of the HOOO torsional potentialBeames, Joseph M. / Lester, Marsha I. / Murray, Craig / Varner, Mychel E. / Stanton, John F. et al. | 2011
- 44305
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On the equilibrium structures of the complexes H2C3H+·Ar and c-C3H3+·Ar: Results of explicitly correlated coupled cluster calculationsBotschwina, Peter et al. | 2011
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Pulsed-field ionization zero electron kinetic energy spectrum of the ground electronic state of BeOBe+Antonov, Ivan O. / Barker, Beau J. / Heaven, Michael C. et al. | 2011
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Photoisomerization mechanism of 4-methylpyridine explored by electronic structure calculations and nonadiabatic dynamics simulationsCao, Jun / Fang, Qiu / Fang, Wei-Hai et al. | 2011
- 44308
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Nonadiabatic molecular dynamics of photoexcited Li clustersZanuttini, D. et al. | 2011
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Theoretical study of isomerization and decomposition of propenalChin, Chih-Hao / Lee, Shih-Huang et al. | 2011
- 44310
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Potential energy surface and rovibrational calculations for the Mg+-H2 and Mg+-D2 complexesDryza, V. et al. | 2011
-
Dissipative many-electron dynamics of ionizing systemsTremblay, Jean Christophe / Klinkusch, Stefan / Klamroth, Tillmann / Saalfrank, Peter et al. | 2011
-
Fourier transform infrared isotopic study of linear MnC3: Identification of the ν1(σ) fundamentalBejjani, Micheline / Rittby, C. M. L. / Graham, W. M. R. et al. | 2011
-
Theoretical study of the rovibrational spectrum of H2O–H2Wang, Xiao-Gang / Carrington, Tucker et al. | 2011
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Rovibrational states of the H2O–H2 complex: An ab initio calculationvan der Avoird, Ad / Nesbitt, David J. et al. | 2011
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Photoelectron imaging of several 5d and 6p Rydberg states Xe2 and improving the Xe2+ I(1/2g) potentialShubert, V. Alvin / Pratt, Stephen T. et al. | 2011
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Laser-induced UV photodissociation of 2-bromo-2-nitropropane: Dynamics of OH and Br formationSaha, Ankur / Kawade, Monali / Upadhyaya, Hari P. / Kumar, Awadhesh / Naik, Prakash D. et al. | 2011
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Quantum state-resolved energy redistribution in gas ensembles containing highly excited N2McCaffery, Anthony J. / Pritchard, Marisian / Turner, John F. C. / Marsh, Richard J. et al. | 2011
-
Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized?: The 2ν3 overtone of CO2Chrysos, M. / Verzhbitskiy, I. A. / Rachet, F. / Kouzov, A. P. et al. | 2011
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Spectroscopic detection of the most stable carbonic acid, cis-cis H2CO3Mori, Tetsuya / Suma, Kohsuke / Sumiyoshi, Yoshihiro / Endo, Yasuki et al. | 2011
-
Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic correctionsHuang, Xinchuan / Schwenke, David W. / Lee, Timothy J. et al. | 2011
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Rovibrational spectra of ammonia. II. Detailed analysis, comparison, and prediction of spectroscopic assignments for 14NH3,15NH3, and 14ND3Huang, Xinchuan / Schwenke, David W. / Lee, Timothy J. et al. | 2011
-
Lithium cluster anions: Photoelectron spectroscopy and ab initio calculationsAlexandrova, Anastassia N. / Boldyrev, Alexander I. / Li, Xiang / Sarkas, Harry W. / Hendricks, Jay H. / Arnold, Susan T. / Bowen, Kit H. et al. | 2011
-
Kinetics of electron attachment to SF3CN, SF3C6F5, and SF3 and mutual neutralization of Ar+ with CN− and C6F5−Shuman, Nicholas S. / Miller, Thomas M. / Viggiano, A. A. / Luzik, Eddie D. / Hazari, Nilay et al. | 2011
-
A polarizable ion model for the structure of molten CuIBitrián, Vicente / Alcaraz, Olga / Trullàs, Joaquim et al. | 2011
-
Proton transport in biological systems can be probed by two-dimensional infrared spectroscopyLiang, Chungwen / Jansen, Thomas L. C. / Knoester, Jasper et al. | 2011
-
Mesoscopic dynamics of diffusion-influenced enzyme kineticsChen, Jiang-Xing / Kapral, Raymond et al. | 2011
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On the density scaling of liquid dynamicsFragiadakis, D. / Roland, C. M. et al. | 2011
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Large heat capacity anomaly near the consolute point of the binary mixture nitromethane and 3-pentanolLosada-Pérez, Patricia / Tripathi, Chandra Shekhar Pati / Leys, Jan / Glorieux, Christ / Thoen, Jan et al. | 2011
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Association structures of ionic liquid/DMSO mixtures studied by high-pressure infrared spectroscopyJiang, Jyh-Chiang / Lin, Kuan-Hung / Li, Sz-Chi / Shih, Pao-Ming / Hung, Kai-Chan / Lin, Sheng Hsien / Chang, Hai-Chou et al. | 2011
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Excited electron-bubble states in superfluid 4He: A time-dependent density functional approachMateo, David / Jin, Dafei / Barranco, Manuel / Pi, Martí et al. | 2011
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Correlations among residual multiparticle entropy, local atomic-level pressure, free volume and the phase-ordering rule in several liquidsCao, Qi-Long / Wang, Wei-Lu / Li, Y. D. / Liu, C. S. et al. | 2011
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A heuristic model of damped quantum rotation effects in nuclear magnetic resonance spectraSzymański, S. et al. | 2011
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Temperature and pressure dependence of secondary process in an epoxy systemSharifi, Soheil / Capaccioli, Simone / Lucchesi, Mauro / Rolla, Pierangelo / Prevosto, Daniele et al. | 2011
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Molecular structural property and potential energy dependence on nonequilibrium-thermodynamic state point of liquid n-hexadecane under shearTseng, Huan-Chang / Chang, Rong-Yeu / Wu, Jiann-Shing et al. | 2011
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The free volume of poly(vinyl methylether) as computed in a wide temperature range and at length scales up to the nanoregionRačko, Dušan / Capponi, S. / Alvarez, F. / Colmenero, J. et al. | 2011
-
Vibrational interference effects in x-ray emission of a model water dimer: Implications for the interpretation of the liquid spectrumLjungberg, M. P. / Pettersson, L. G. M. / Nilsson, A. et al. | 2011
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Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamideKjær, Hanna / Sauer, Stephan P. A. / Kongsted, Jacob et al. | 2011
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Is there a relation between excess volume and miscibility in binary liquid mixtures?Amore, S. / Horbach, J. / Egry, I. et al. | 2011
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Orientational relaxation dynamics in aqueous ionic solution: Polarization-selective two-dimensional infrared study of angular jump-exchange dynamics in aqueous 6M NaClO4Ji, Minbiao / Gaffney, Kelly J. et al. | 2011
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Molecular dynamics at ambient and elevated pressure of the amorphous pharmaceutical: Nonivamide (pelargonic acid vanillylamide)Wojnarowska, Z. / Hawelek, L. / Paluch, M. / Sawicki, W. / Ngai, K. L. et al. | 2011
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The possibility of regime changing in chain reactions with degenerate branching under the influence of external magnetic fieldKipriyanov, A. A. / Purtov, P. A. et al. | 2011
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Highly repulsive interaction in novel inclusion D2–N2 compound at high pressure: Raman and x-ray evidenceKim, Minseob / Yoo, Choong-Shik et al. | 2011
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π-conjugation and charge polarization in fluorene-dibenzothiophene-S,S-dioxide co-oligomers by Raman spectroscopy and quantum chemistryZafra, José L. / Casado, Juan / Perepichka, Iryna I. / Perepichka, Igor F. / Bryce, Martin R. / Ramírez, Francisco J. / Navarrete, Juan T. López et al. | 2011
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Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C3v symmetry: Chloroform, bromoform, and methyl-iodidePothoczki, Szilvia / Temleitner, László / Pusztai, László et al. | 2011
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An upper limit to kinetic fragility in glass-forming liquidsWang, Li-Min / Mauro, John C. et al. | 2011
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Complex phase behavior of the system of particles with smooth potential with repulsive shoulder and attractive wellFomin, Yu. D. / Tsiok, E. N. / Ryzhov, V. N. et al. | 2011
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Measurement of the Soret and diffusion coefficients for benchmark binary mixtures by means of digital interferometryMialdun, A. / Shevtsova, V. et al. | 2011
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Debye process and dielectric state of an alcohol in a nonpolar solventPower, G. / Nagaraj, Mamatha / Vij, J. K. / Johari, G. P. et al. | 2011
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Lithium hydroxide dihydrate: A new type of icy material at elevated pressureTschauner, O. / Kiefer, B. / Nicol, M. / Sinogeikin, S. / Kumar, R. / Cornelius, A. et al. | 2011
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Nonequilibrium restructuring in two-dimensional Lennard-Jones system induced by a simple square start configurationKarbowniczek, Paweł / Chrzanowska, Agnieszka et al. | 2011
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On the mode-coupling treatment of collective density fluctuations for quantum liquids: Para-hydrogen and normal liquid heliumKletenik-Edelman, Orly / Reichman, David R. / Rabani, Eran et al. | 2011
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Effects of electrostatic potential and shape on diffusion-controlled reaction at an elliptic siteStrieder, William et al. | 2011
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Inertial and bias effects in the rotational Brownian motion of rodlike molecules in a uniaxial potentialKalmykov, Yuri P. / Titov, Sergey V. / Coffey, William T. et al. | 2011
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Fast motion in molecular solids at low temperatures: Evidence from a pulsed electron paramagnetic resonance study of nitroxyl radical relaxationKveder, Marina / Jokić, Milan / Rakvin, Boris et al. | 2011
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Pair structure of the hard-sphere Yukawa fluid: An improved analytic method versus simulations, Rogers-Young scheme, and experimentHeinen, Marco / Holmqvist, Peter / Banchio, Adolfo J. / Nägele, Gerhard et al. | 2011
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Geometry and quadratic nonlinearity of charge transfer complexes in solution using depolarized hyper-Rayleigh scatteringPandey, Ravindra / Ghosh, Sampa / Mukhopadhyay, S. / Ramasesha, S. / Das, Puspendu K. et al. | 2011
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Geometry and quadratic nonlinearity of charge transfer complexes in solution: A theoretical studyMukhopadhyay, S. / Pandey, Ravindra / Das, Puspendu K. / Ramasesha, S. et al. | 2011
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Multiple emissions of benzil at room temperature and 77 K and their assignments from ab initio quantum chemical calculationsBhattacharya, Bhaswati / Jana, Barnali / Bose, Debosreeta / Chattopadhyay, Nitin et al. | 2011
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Unraveling the properties of octamethylcyclotetrasiloxane under nanoscale confinement: Atomistic view of the liquidlike state from molecular dynamics simulationMatsubara, Hiroki / Pichierri, Fabio / Kurihara, Kazue et al. | 2011
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Mutual diffusion coefficients of heptane isomers in nitrogen: A molecular dynamics studyChae, Kyungchan / Violi, Angela et al. | 2011
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C6H6/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interactionAbad, E. / Dappe, Y. J. / Martínez, J. I. / Flores, F. / Ortega, J. et al. | 2011
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Reversible uptake of water on NaCl nanoparticles at relative humidity below deliquescence point observed by noncontact environmental atomic force microscopyBruzewicz, Derek A. / Checco, Antonio / Ocko, Benjamin M. / Lewis, Ernie R. / McGraw, Robert L. / Schwartz, Stephen E. et al. | 2011
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Sampling the structure of calcium carbonate nanoparticles with metadynamicsQuigley, D. / Freeman, C. L. / Harding, J. H. / Rodger, P. M. et al. | 2011
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Binding structures of propylene glycol stereoisomers on the Si(001)−2×1 surface: A combined scanning tunneling microscopy and theoretical studyHahn, Jae Ryang / Bharath, Satyaveda C. / Jeong, Sukmin / Pearl, Thomas P. et al. | 2011
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Complex phase behavior of a fluid in slits with semipermeable walls modified with tethered chainsBorówko, M. / Patrykiejew, A. / Rżysko, W. / Sokołowski, S. / Ilnytskyi, J. et al. | 2011
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Faster proton transfer dynamics of water on SnO2 compared to TiO2Kumar, Nitin / Kent, Paul R. C. / Bandura, Andrei V. / Kubicki, James D. / Wesolowski, David J. / Cole, David R. / Sofo, Jorge O. et al. | 2011
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Molecular orientations and interfacial structure of C60 on Pt(111)Liu, Cunding / Qin, Zhihui / Chen, Jian / Guo, Qinmin / Yu, Yinghui / Cao, Gengyu et al. | 2011
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Tuning the transport properties of a (C60)2 bridge with electron and hole dopingsZheng, X. H. / Wang, X. L. / Dai, Z. X. / Zeng, Z. et al. | 2011
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Surface tension of water–alcohol mixtures from Monte Carlo simulationsBiscay, F. / Ghoufi, A. / Malfreyt, P. et al. | 2011
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Adsorption of nitrogen oxides on graphene and graphene oxides: Insights from density functional calculationsTang, Shaobin / Cao, Zexing et al. | 2011
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Dangling bond-induced graphitization process on the (111) surface of diamond nanoparticlesLi, Le-sheng / Zhao, Xiang et al. | 2011
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Phase measurement in nondegenerate three-wave mixing spectroscopyJena, Kailash C. / Covert, Paul A. / Hore, Dennis K. et al. | 2011
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A free-space density functional theory for polymer adsorption: Influence of packing effect on conformations of polymerChen, Xueqian / Chen, Houyang / Liu, Honglai / Hu, Ying et al. | 2011
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Long-time growth kinetics of first order phase transitions in the presence of a boundary layerMitra, Mithun K. / Muthukumar, M. et al. | 2011
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Collapse of a two-state sticky hard sphere chainEvans, Glenn T. et al. | 2011
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Phase diagram of spherical particles interacted with harmonic repulsionsZhu, You-Liang / Lu, Zhong-Yuan et al. | 2011
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Magnetic field effects on tactoids of plate-like colloidsVerhoeff, A. A. / Otten, R. H. J. / van der Schoot, Paul / Lekkerkerker, H. N. W. et al. | 2011
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Structure and dynamics of water in mixed solutions including laponite and PEOMorikubo, Satoshi / Sekine, Yurina / Ikeda-Fukazawa, Tomoko et al. | 2011
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Scattering process between polaron and exciton in conjugated polymersSun, Zhen / Liu, Desheng / Stafström, Sven / An, Zhong et al. | 2011
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Precise dipolar coupling constant distribution analysis in proton multiple-quantum NMR of elastomersChassé, Walter / Valentín, Juan López / Genesky, Geoffrey D. / Cohen, Claude / Saalwächter, Kay et al. | 2011
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Multicomponent ballistic transport in narrow single wall carbon nanotubes: Analytic model and molecular dynamics simulationsMutat, T. / Adler, J. / Sheintuch, M. et al. | 2011
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Chain stiffness, salt valency, and concentration influences on titration curves of polyelectrolytes: Monte Carlo simulationsCarnal, Fabrice / Stoll, Serge et al. | 2011
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Control of structure formation in phase-separating systemsSingh, Awaneesh / Mukherjee, A. / Vermeulen, H. M. / Barkema, G. T. / Puri, Sanjay et al. | 2011
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Dissimilar bouncy walkersLomholt, Michael A. / Lizana, Ludvig / Ambjörnsson, Tobias et al. | 2011
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Raman study of low-frequency modes in three glycine polymorphsSurovtsev, N. V. / Malinovsky, V. K. / Boldyreva, E. V. et al. | 2011
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Hierarchy of folding and unfolding events of protein G, CI2, and ACBP from explicit-solvent simulationsCamilloni, Carlo / Broglia, Ricardo A. / Tiana, Guido et al. | 2011
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Publisher's Note: “Synchrotron vacuum ultraviolet radiation studies of the D 1Πu state of H2” [Dickenson, G. D. / Ivanov, T. I. / Roudjane, M. / de Oliveira, N. / Joyeux, D. / Nahon, L. / Tchang-Brillet, W.-Ü. L. / Glass-Maujean, M. / Haar, I. / Ehresmann, A. et al. | 2011
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Communication: An exact short-time solver for the time-dependent Schrödinger equationSun, Zhigang / Yang, Weitao et al. | 2011
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On the equilibrium structures of the complexes H2C3H+·Ar and c-${\rm C}_{\rm 3} {\rm H}_{\rm 3}^{\rm + }$·Ar: Results of explicitly correlated coupled cluster calculationsBotschwina, Peter / Oswald, Rainer et al. | 2011
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Nonadiabatic molecular dynamics of photoexcited ${\rm Li}_2^+{\rm Ne}_n$ clustersZanuttini, D. / Douady, J. / Jacquet, E. / Giglio, E. / Gervais, B. et al. | 2011
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Potential energy surface and rovibrational calculations for the ${\rm Mg}^+$–${\rm H}_2$ and ${\rm Mg}^+$–${\rm D}_2$ complexesDryza, V. / Bieske, E. J. / Buchachenko, A. A. / Kłos, J. et al. | 2011
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Shedding light on a dark state: The energetically lowest quintet state of C$_2$Bornhauser, P. / Sych, Y. / Knopp, G. / Gerber, T. / Radi, P. P. et al. | 2011
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Tensor factorizations of local second-order Møller–Plesset theoryYang, Jun / Kurashige, Yuki / Manby, Frederick R. / Chan, Garnet K. L. et al. | 2011