Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems (English)
National licence
- New search for: Liu, Jian
- New search for: Miller, William H.
- New search for: Liu, Jian
- New search for: Miller, William H.
In:
The Journal of Chemical Physics
;
127
, 11
;
114506-
;
2007
- Article (Journal) / Electronic Resource
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Title:Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems
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Contributors:Liu, Jian ( author ) / Miller, William H. ( author )
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Published in:The Journal of Chemical Physics ; 127, 11 ; 114506-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2007-09-21
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Size:10 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 127, Issue 11
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.
- 111101
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Wavelength-dependent fragmentation and clustering observed after femtosecond laser ablation of solid C60Kobayashi, T. / Kato, T. / Matsuo, Y. / Kurata-Nishimura, M. / Hayashizaki, Y. / Kawai, J. et al. | 2007
- 111102
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Intriguing relations of interaction energy components in stacked nucleic acidsLangner, Karol M. / Sokalski, W. Andrzej / Leszczynski, J. et al. | 2007
- 111103
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Hyper-Raman scattering enhanced by anisotropic dimer plasmons on artificial nanostructuresIkeda, Katsuyoshi / Takase, Mai / Sawai, Yoshitaka / Nabika, Hideki / Murakoshi, Kei / Uosaki, Kohei et al. | 2007
- 111104
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Multicarrier recombination in colloidal quantum dotsPandey, Anshu / Guyot-Sionnest, Philippe et al. | 2007
- 111105
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Fluorescence intermittency of silicon nanocrystals and other quantum dots: A unified two-dimensional diffusion-controlled reaction modelTang, Jau et al. | 2007
- 111106
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Direct approach for the electron transport through moleculesOrtiz, Diego O. / Seminario, Jorge M. et al. | 2007
- 114101
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Time-dependent density functional theory for nonlinear properties of open-shell systemsRinkevicius, Zilvinas / Jha, Prakash Chandra / Oprea, Corneliu I. / Vahtras, Olav / A˚gren, Hans et al. | 2007
- 114102
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Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solutionChan, Elaine R. / Striolo, Alberto / McCabe, Clare / Cummings, Peter T. / Glotzer, Sharon C. et al. | 2007
- 114103
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Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster methodPittner, Jirˇi´ / Sˇmydke, Jan et al. | 2007
- 114104
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Optimized effective potential method: Is it possible to obtain an accurate representation of the response function for finite orbital basis sets?Kollmar, Christian / Filatov, Michael et al. | 2007
- 114105
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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phasesVandeVondele, Joost / Hutter, Ju¨rg et al. | 2007
- 114106
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Treatment of charge singularities in implicit solvent modelsGeng, Weihua / Yu, Sining / Wei, Guowei et al. | 2007
- 114107
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Unbiased auxiliary basis sets for accurate two-electron integral approximationsAquilante, Francesco / Lindh, Roland / Bondo Pedersen, Thomas et al. | 2007
- 114108
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Grid-free density functional calculations on periodic systemsVarga, Sˇtefan et al. | 2007
- 114109
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Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux samplingValeriani, Chantal / Allen, Rosalind J. / Morelli, Marco J. / Frenkel, Daan / Rein ten Wolde, Pieter et al. | 2007
- 114301
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Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atomsTao, Liang / Alexander, Millard H. et al. | 2007
- 114302
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Electronic states of neutral and cationic bis(benzene) titanium and vanadium sandwich complexes studied by pulsed field ionization electron spectroscopySohnlein, Bradford R. / Lei, Yuxiu / Yang, Dong-Sheng et al. | 2007
- 114303
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Photodissociation of alkyl iodides in helium nanodroplets. I. Kinetic energy transferBraun, Andreas / Drabbels, Marcel et al. | 2007
- 114304
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Photodissociation of alkyl iodides in helium nanodroplets. II. Solvation dynamicsBraun, Andreas / Drabbels, Marcel et al. | 2007
- 114305
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Photodissociation of alkyl iodides in helium nanodroplets. III. RecombinationBraun, Andreas / Drabbels, Marcel et al. | 2007
- 114306
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Preferential attachment during the evolution of a potential energy landscapeMassen, Claire P. / Doye, Jonathan P. K. et al. | 2007
- 114307
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IR signature of the photoionization-induced hydrophobic→hydrophilic site switching in phenol-Arn clustersIshiuchi, Shun-ichi / Sakai, Makoto / Tsuchida, Yuji / Takeda, Akihiro / Kawashima, Yasutake / Dopfer, Otto / Mu¨ller-Dethlefs, Klaus / Fujii, Masaaki et al. | 2007
- 114308
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Speed dependent rotational angular momentum polarization of the O2 (a 1Δg) fragment following ozone photolysis in the wavelength range 248–265 nmHorrocks, S. J. / Ritchie, G. A. D. / Sharples, T. R. et al. | 2007
- 114309
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Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: Application to the intramolecular hydrogen transfer in pentadieneVani´cˇek, Jirˇi´ / Miller, William H. et al. | 2007
- 114310
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Rovibrational energy transfer in ortho-H2+para-H2 collisionsPanda, Aditya N. / Otto, Frank / Gatti, Fabien / Meyer, Hans-Dieter et al. | 2007
- 114311
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Infrared spectroscopy of anionic hydrated fluorobenzenesSchneider, Holger / Vogelhuber, Kristen M. / Weber, J. Mathias et al. | 2007
- 114312
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Photoelectron spectroscopy of hydrated hexafluorobenzene anionsEustis, Soren N. / Wang, Di / Bowen, Kit H. / Naresh Patwari, G. et al. | 2007
- 114313
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Vibronic structure in C2H and C2D from anion slow electron velocity-map imaging spectroscopyZhou, Jia / Garand, Etienne / Neumark, Daniel M. et al. | 2007
- 114314
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Significant increase in the stability of rare gas hydrides on insertion of beryllium atomJayasekharan, T. / Ghanty, Tapan K. et al. | 2007
- 114315
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H2S ultrafast dissociation probed by energy-selected resonant Auger electron–ion coincidence measurementsLe Guen, K. / Miron, C. / Ce´olin, D. / Guillemin, R. / Leclercq, N. / Simon, M. / Morin, P. / Mocellin, A. / Bjo¨rneholm, O. / Naves de Brito, A. et al. | 2007
- 114316
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Accurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to CO(A 1Π)Varandas, A. J. C. et al. | 2007
- 114316
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Accurate emph TYPE="1">ab initio potentials at low cost via correlation scaling and extrapolation: Application to CO(A 1&Pgr;)Varandas, A.J.C. et al. | 2007
- 114317
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Interpretation of the vibrational relaxation of H2 in H2 within the semiclassical effective mass approachDashevskaya, E. I. / Litvin, I. / Nikitin, E. E. / Troe, J. et al. | 2007
- 114318
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Dalitz plot analysis of Coulomb exploding O3 in ultrashort intense laser fieldsMatsuda, Akitaka / Takahashi, Eiji J. / Hishikawa, Akiyoshi et al. | 2007
- 114319
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Quantum state resolved scattering dynamics of F+HCl→HF(v,J)+ClZolot, A. M. / Nesbitt, D. J. et al. | 2007
- 114320
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Rotational spectra of vibrationally excited CCH and CCDKillian, T. C. / Gottlieb, C. A. / Thaddeus, P. et al. | 2007
- 114501
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New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to alkanol+cyclohexane mixturesVasiltsova, Tatiana / Heintz, Andreas et al. | 2007
- 114502
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Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational basesChapman, Craig T. / Cina, Jeffrey A. et al. | 2007
- 114503
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Pulsed electron nuclear double resonance studies of the photoexcited triplet state of pentacene in p-terphenyl crystals at room temperatureYago, Tomoaki / Link, Gerhard / Kothe, Gerd / Lin, Tien-Sung et al. | 2007
- 114504
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Nucleation versus spinodal decomposition in confined binary solutionsAbyzov, Alexander S. / Schmelzer, Ju¨rn W. P. et al. | 2007
- 114505
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Contribution of rotational diffusion to pulsed field gradient diffusion measurementsBaldwin, Andrew J. / Christodoulou, John / Barker, Paul D. / Dobson, Christopher M. / Lippens, Guy et al. | 2007
- 114506
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Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systemsLiu, Jian / Miller, William H. et al. | 2007
- 114507
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New experimental evidence about secondary processes in phenylphthalein-dimethylether and 1,1′-bis(p-methoxyphenyl)cyclohexanePrevosto, D. / Sharifi, S. / Capaccioli, S. / Rolla, P. A. / Hensel-Bielowka, S. / Paluch, M. et al. | 2007
- 114508
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Heterogeneous dynamics and dynamic heterogeneities at the glass transition probed with single molecule spectroscopyAdhikari, Aashish N. / Capurso, Noah A. / Bingemann, Dieter et al. | 2007
- 114509
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Infrared spectroscopy of aqueous ionic salt mixtures at low concentrations: Ion pairing in waterMax, Jean-Joseph / Chapados, Camille et al. | 2007
- 114510
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Refined potential model for atomistic simulations of ionic liquid [bmim][PF6]Bhargava, B. L. / Balasubramanian, S. et al. | 2007
- 114511
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Cutoff radius effect of isotropic periodic sum method for transport coefficients of Lennard-Jones liquidTakahashi, Kazuaki / Yasuoka, Kenji / Narumi, Tetsu et al. | 2007
- 114512
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Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation studyCarre´, Antoine / Berthier, Ludovic / Horbach, Ju¨rgen / Ispas, Simona / Kob, Walter et al. | 2007
- 114513
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Direct identification and decongestion of Fermi resonances by control of pulse time ordering in two-dimensional IR spectroscopyDonaldson, Paul M. / Guo, Rui / Fournier, Frederic / Gardner, Elizabeth M. / Barter, Laura M. C. / Barnett, Chris J. / Gould, Ian R. / Klug, David R. / Palmer, D. Jason / Willison, Keith R. et al. | 2007
- 114701
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Effect of oxidation on the wettability of poly(dimethylsiloxane) surfacesSchneemilch, M. / Quirke, N. et al. | 2007
- 114702
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Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphiteNilson, Katharina / A˚hlund, John / Brena, Barbara / Go¨thelid, Emmanuelle / Schiessling, Joachim / Ma˚rtensson, Nils / Puglia, Carla et al. | 2007
- 114703
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Electronic properties of the interface between p-CuI and anatase-phase n-TiO2 single crystal and nanoparticulate surfaces: A photoemission studyKumarasinghe, A. R. / Flavell, W. R. / Thomas, A. G. / Mallick, A. K. / Tsoutsou, D. / Chatwin, C. / Rayner, S. / Kirkham, P. / Warren, S. / Patel, S. et al. | 2007
- 114704
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Soft x-ray photoreactions of CF3Cl adsorbed on Si(111)-7×7 studied by continuous-time photon-stimulated desorption spectroscopy near F(1s) edgeWen, C.-R. / Jang, C.-Y. / Chou, L.-C. / Chen, J. / Wu, Y.-H. / Chang, S.-C. / Tsai, W.-C. / Liu, C.-C. / Wang, S.-K. / Shai, Y. et al. | 2007
- 114705
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Picosecond time resolved photoluminescence spectroscopy of a tetracene film on highly oriented pyrolytic graphite: Dynamical relaxation, trap emission, and superradianceVoigt, M. / Langner, A. / Schouwink, P. / Lupton, J. M. / Mahrt, R. F. / Sokolowski, M. et al. | 2007
- 114706
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Temperature dependence of the colloidal agglomeration inhibition: Computer simulation studyBarcenas, Mariana / Douda, Janna / Duda, Yurko et al. | 2007
- 114707
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Experimental and theoretical study of reactivity trends for methanol on Co/Pt(111) and Ni/Pt(111) bimetallic surfacesSkoplyak, Orest / Menning, Carl A. / Barteau, Mark A. / Chen, Jingguang G. et al. | 2007
- 114708
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Electronic structure of spherical quantum dots using coupled cluster methodHeidari, Ideh / Pal, Sourav / Pujari, B. S. / Kanhere, D. G. et al. | 2007
- 114709
-
Ab initio statistical mechanics of surface adsorption and desorption. I. H2O on MgO (001) at low coverageAlfe`, D. / Gillan, M. J. et al. | 2007
- 114709
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emph TYPE="1">Ab initio statistical mechanics of surface adsorption and desorption. I. H2O on MgO (001) at low coverageAlfe`, D. et al. | 2007
- 114710
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Buoyancy-driven convection around chemical fronts traveling in covered horizontal solution layersRongy, L. / Goyal, N. / Meiburg, E. / De Wit, A. et al. | 2007
- 114901
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Triplets in extended nematic liquid crystals and polarons in their blendsTsoi, Wing C. / O’Neill, Mary / Aldred, Matthew P. / Vlachos, Panos / Kelly, Stephen M. et al. | 2007
- 114902
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Excitonic effects in a time-dependent density functional theoryIgumenshchev, Kirill I. / Tretiak, Sergei / Chernyak, Vladimir Y. et al. | 2007
- 114903
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Effect of polymer size and chain length on depletion interactions between two colloidsKim, Soon-Chul / Suh, Soong-Hyuck / Seong, Baek-Seok et al. | 2007
- 114904
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Effects of block copolymer’s architecture on its association with lipid membranes: Experiments and simulationsFrey, Shelli L. / Zhang, Dongsheng / Carignano, Marcelo A. / Szleifer, Igal / Lee, Ka Yee C. et al. | 2007
- 114905
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Structure of a semidilute polymer solution under steady shearJose, Prasanth P. / Szamel, Grzegorz et al. | 2007
- 114906
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Self-assembly of diblock copolymers confined in cylindrical nanoporesYu, Bin / Sun, Pingchuan / Chen, Tiehong / Jin, Qinghua / Ding, Datong / Li, Baohui / Shi, An-Chang et al. | 2007
- 114907
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Stress relaxation in polymer networks: Equilibrium behavior and dynamicsAdams, J. M. / Mao, Y. / Vandoolaeghe, W. L. et al. | 2007
- 114908
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Adsorption and freezing of diblock copolymers on stripe-patterned surfaces: A scaling analysisSumithra, K. / Straube, E. et al. | 2007
- 115101
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Diffusion model of solute dynamics in a membrane channel: Mapping onto the two-site model and optimizing the fluxBezrukov, Sergey M. / Berezhkovskii, Alexander M. / Szabo, Attila et al. | 2007
- 115102
-
Collective diffusion coefficient of proteins with hydrodynamic, electrostatic, and adhesive interactionsPrinsen, Peter / Odijk, Theo et al. | 2007
- 115103
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Ordering of lipid A-monophosphate clusters in aqueous solutionsFaunce, Chester A. / Reichelt, Hendrik / Quitschau, Peter / Paradies, Henrich H. et al. | 2007
- 117101
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Comment on “Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study” [J. Chem. Phys. 126, 091105 (2007)]Swicord, Mays L. / Sheppard, Asher R. / Balzano, Quirino et al. | 2007
- 117101
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Comment on "Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study" [J. Chem. Phys. emph TYPE="3">126, 091105 (2007)]Swicord, Mays L. et al. | 2007
- 117102
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Response to "Comment on 'Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study'" [J. Chem. Phys. emph TYPE="3">126, 091105 (2007)]English, Niall J. et al. | 2007
- 117102
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Response to “Comment on ‘Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study’” [J. Chem. Phys. 126, 091105 (2007)]English, Niall J. / Mooney, Damian A. et al. | 2007