Magdalena Bendova's Top Recommendations

These recommendations were last updated about an hour ago.

	Thermodynamic Studies of Ionic Interactions in Aqueous Solutions of Imidazolium-Based Ionic Liquids [Emim][Br] and [Bmim][Cl] [My Copy] J. Phys. Chem. B, Vol. 112, No. 11. (20 March 2008), pp. 3380-3389. by R. L. Gardas, D. H. Dagade, J. A. P. Coutinho, K. J. Patil posted by 2 people dilipdagade gardasr
	Estimation of speed of sound of ionic liquids using surface tensions and densities: A volume based approach [My Copy] Fluid Phase Equilibria, Vol. In Press, Accepted Manuscript by Ramesh L. Gardas, Joao A. Coutinho posted by 1 person gardasr
	Mutual Solubilities of Water and Hydrophobic Ionic Liquids [My Copy] J. Phys. Chem. B, Vol. 111, No. 45. (15 November 2007), pp. 13082-13089. by M. G. Freire, C. M. S. S. Neves, P. J. Carvalho, et al.R. L. Gardas, A. M. Fernandes, I. M. Marrucho, Santos, J. A. P. Coutinho posted by 2 people mrizal gardasr
	Solid-liquid phase equilibria for mixtures containing diatomic Lennard-Jones molecules [My Copy] Fluid Phase Equilibria, Vol. 262, No. 1-2. (15 December 2007), pp. 1-13. by Aysa L. Galbraith, C. K. Hall posted by 2 people Zuzanka Zanna
	Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 43. (1 October 2004), pp. 16893-16898. by Canongia, Agilio A. Padua posted by 1 person marcou
	Raman Spectroscopy and Ab-Initio Model Calculations on Ionic Liquids [My Copy] Monatshefte für Chemie / Chemical Monthly, Vol. 138, No. 11. (1 November 2007), pp. 1045-1075. by Rolf W. Berg posted by 1 person marcou
	Modeling Ionic Liquids Using a Systematic All-Atom Force Field [My Copy] J. Phys. Chem. B, Vol. 108, No. 6. (12 February 2004), pp. 2038-2047. by J. N. Canongialopes, J. Deschamps, A. A. H. Padua posted by 1 person marcou
	Solubility of small molecule in ionic liquids: A model study on the ionic size effect [My Copy] J Phys Chem B, Vol. 111, No. 45. (2007), pp. 13047-13051. by P. Lou, S. Kang, K. C. Ko, J. Y. Lee posted by 3 people marcou softsimu mrizal
	Group contribution methods for the prediction of thermophysical and transport properties of ionic liquids [My Copy] AIChE Journal, Vol. 55, No. 5. (2009), pp. 1274-1290. by Ramesh L. Gardas, João A. P. Coutinho posted by 1 person gardasr
	Volumetric and Transport Properties of Ternary Mixtures Containing 1-Butanol or 1-Pentanol, Triethylamine and Cyclohexane at 303.15 K: Experimental Data, Correlation and Prediction by the ERAS Model [My Copy] Journal of Solution Chemistry, Vol. 37, No. 10. (1 October 2008), pp. 1449-1470. by R. Gardas, S. Oswal posted by 1 person gardasr
	Volumetric and transport properties of ternary mixtures containing 1-propanol, triethylamine or tri-n-butylamine and cyclohexane at 303.15K: Experimental data, correlation and prediction by ERAS model [My Copy] Thermochimica Acta (18 September 2008) by R. Gardas, S. Oswal posted by 1 person gardasr
	PVT Property Measurements for Ethyl Propionate, Ethyl Butyrate, and Ethyl Pentanoate Esters from (298 to 393) K and up to 35 MPa [My Copy] J. Chem. Eng. Data (9 July 2008) by Henrique F. Costa, Ramesh L. Gardas, Irudayaraj Johnson, Isabel M. Fonseca, Abel G. Ferreira posted by 1 person gardasr
	A Group Contribution Method for Heat Capacity Estimation of Ionic Liquids [My Copy] Ind. Eng. Chem. Res., Vol. 47, No. 15. (6 August 2008), pp. 5751-5757. by Ramesh L. Gardas, João A. Coutinho posted by 1 person gardasr
	High-Pressure Densities and Derived Thermodynamic Properties of Imidazolium-Based Ionic Liquids [My Copy] J. Chem. Eng. Data, Vol. 52, No. 1. (11 January 2007), pp. 80-88. by R. L. Gardas, M. G. Freire, P. J. Carvalho, et al.I. M. Marrucho, I. M. A. Fonseca, A. G. M. Ferreira, J. A. P. Coutinho posted by 1 person gardasr
	PVT Property Measurements for Some Aliphatic Esters from (298 to 393) K and up to 35 MPa [My Copy] J. Chem. Eng. Data, Vol. 52, No. 3. (10 May 2007), pp. 737-751. by R. L. Gardas, I. Johnson, D. M. D. Vaz, I. M. A. Fonseca, A. G. M. Ferreira posted by 1 person gardasr
	Applying a QSPR correlation to the prediction of surface tensions of ionic liquids [My Copy] Fluid Phase Equilibria, Vol. 265, No. 1-2. (25 March 2008), pp. 57-65. by Ramesh L. Gardas, Joao A. Coutinho posted by 1 person gardasr
	Acoustic and volumetric properties of aqueous solutions of imidazolium based ionic liquids at 298.15 K [My Copy] The Journal of Chemical Thermodynamics, Vol. In Press, Corrected Proof by Ramesh L. Gardas, Dilip H. Dagade, Santosh S. Terdale, Joao A. Coutinho, Kesharsingh J. Patil posted by 1 person gardasr
	Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K [My Copy] Thermochimica Acta, Vol. 426, No. 1-2. (February 2005), pp. 141-149. by S. L. Oswal, D. B. Gheewala, K. D. Prajapati, R. L. Gardas, N. Y. Ghael, S. P. Ijardar posted by 1 person gardasr
	Densities, speeds of sound, isentropic compressibilities, refractive indexes, and viscosities of tetrahydrofuran with haloalkane or alkyl ethanoate at T = 303.15 K [My Copy] Thermochimica Acta, Vol. 426, No. 1-2. (February 2005), pp. 199-206. by S. L. Oswal, R. L. Gardas, R. P. Phalak posted by 1 person gardasr
	Densities, speeds of sound, isentropic compressibilities, refractive indices and viscosities of binary mixtures of tetrahydrofuran with hydrocarbons at 303.15 K [My Copy] Journal of Molecular Liquids, Vol. 116, No. 2. (30 January 2005), pp. 109-118. by S. L. Oswal, R. L. Gardas, R. P. Phalak posted by 2 people gardasr nkakber
	Acoustic, volumetric, compressibility and refractivity properties and reduction parameters for the ERAS and Flory models of some homologous series of amines from 298.15 to 328.15 K [My Copy] Fluid Phase Equilibria, Vol. 216, No. 1. (15 February 2004), pp. 33-45. by S. L. Oswal, P. Oswal, R. L. Gardas, S. G. Patel, R. G. Shinde posted by 1 person gardasr
	Speeds of sound, isentropic compressibilities, and excess molar volumes of cycloalkanes, alkanes and aromatic hydrocarbons at 303.15 K. II. Results for cycloalkanes+aromatic hydrocarbons [My Copy] Journal of Molecular Liquids, Vol. 109, No. 3. (15 February 2004), pp. 155-166. by S. L. Oswal, M. M. Maisuria, R. L. Gardas posted by 1 person gardasr
	Viscosity of binary mixtures of cycloalkane with cycloalkane, alkane and aromatic hydrocarbon at 303.15 K [My Copy] Journal of Molecular Liquids, Vol. 108, No. 1-3. (November 2003), pp. 199-215. by S. L. Oswal, M. M. Maisuria, R. L. Gardas posted by 1 person gardasr
	Acoustic, volumetric, compressibility and refractivity properties and Flory's reduction parameters of some homologous series of alkyl alkanoates from 298.15 to 333.15 K [My Copy] Thermochimica Acta, Vol. 410, No. 1-2. (9 February 2004), pp. 1-14. by S. L. Oswal, P. Oswal, P. S. Modi, J. P. Dave, R. L. Gardas posted by 1 person gardasr
	Speeds of sound and isentropic compressibilities of binary mixtures containing trialkylamines with alkanes and mono-alkylamines at 303.15 and 313.15 K [My Copy] Fluid Phase Equilibria, Vol. 215, No. 1. (15 January 2004), pp. 61-70. by S. L. Oswal, S. G. Patel, R. L. Gardas, N. Y. Ghael posted by 1 person gardasr
	Ionic liquids: recent progress and remaining problems [My Copy] Journal of Physics: Condensed Matter, Vol. 5, No. 34B. (1993), pp. B99-B106. by J. E. Enderby
	Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture [My Copy] J. Chem. Phys., Vol. 129, No. 10. (September 2008) by C. Spickermann, J. Thar, S. B. C. Lehmann, et al.S. Zahn, J. Hunger, R. Buchner, P. A. Hunt, T. Welton, B. Kirchner
	Ionic liquids from Car-Parrinello simulations. 2. Structural diffusion leading to large anions in chloraluminate ionic liquids. [My Copy] Inorganic chemistry, Vol. 46, No. 7. (2 April 2007), pp. 2751-2754. by Barbara Kirchner, Ari P. Seitsonen
	Ionic Liquids from Car−Parrinello Simulations, Part I: Liquid AlCl3 [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 23. (1 June 2006), pp. 11475-11480. by Barbara Kirchner, Ari P. Seitsonen, Jurg Hutter
	Structural change of ionic association in ionic liquid/water mixtures: A high-pressure infrared spectroscopic study [My Copy] The Journal of Chemical Physics, Vol. 130, No. 12. (2009), 124503. by Yasuhiro Umebayashi, Jyh C. Jiang, Yu L. Shan, et al.Kuan H. Lin, Kenta Fujii, Shiro Seki, Shin I. Ishiguro, Sheng H. Lin, Hai C. Chang
	Dynamics of Imidazolium Ionic Liquids from a Combined Dielectric Relaxation and Optical Kerr Effect Study: Evidence for Mesoscopic Aggregation [My Copy] Journal of the American Chemical Society, Vol. 131, No. 31. (12 August 2009), pp. 11140-11146. by David A. Turton, Johannes Hunger, Alexander Stoppa, et al.Glenn Hefter, Andreas Thoman, Markus Walther, Richard Buchner, Klaas Wynne
	Estimation of the anharmonic quantum density of states in large systems [My Copy] Chemical Physics Letters, Vol. 357, No. 1-2. (3 May 2002), pp. 78-84. by P. Parneix
	A new source for vibrationally excited and rotationally cold metal-oxide molecules: spectroscopic characterization of the low-lying a3Π2 metastable excited state of the MgO molecule [My Copy] Chemical Physics Letters, Vol. 381, No. 3-4. (14 November 2003), pp. 381-384. by D. Bellert, Katherine L. Burns, Nguyen-Thi Van-Oanh, Jinjin Wang, W. H. Breckenridge
	Spectroscopic characterization of the F1Π1 'Rydberg' state of the MgO molecule [My Copy] Chemical Physics Letters, Vol. 381, No. 5-6. (21 November 2003), pp. 725-728. by D. Bellert
	Laser spectroscopic studies of the E1Σ+ `Rydberg' state of the MgO molecule [My Copy] Chemical Physics Letters, Vol. 392, No. 1-3. (01 July 2004), pp. 62-67. by Jinjin Wang, Nguyen-Thi Van-Oanh, D. Bellert, et al.W. H. Breckenridge, Marc-Andre Gaveau, Eric Gloaguen, Benoit Soep, J. M. Mestdagh
	Intramolecular anharmonicity in the naphthalene molecule: thermodynamics and spectral effects [My Copy] Phys. Chem. Chem. Phys., Vol. 7, No. 8. (2005), pp. 1779-1784. by Nguyen-Thi Van-Oanh, Pascal Parneix, Philippe Brechignac
	Photofragmentation of the Fluorene Cation: II. Determination of the H-Loss Energy-Dependent Rate Constant [My Copy] The Journal of Physical Chemistry A, Vol. 110, No. 17. (1 May 2006), pp. 5599-5606. by Nguyen-Thi Van-Oanh, Pierre Desesquelles, Philippe Brechignac
	Photofragmentation of the Fluorene Cation: I. New Experimental Procedure Using Sequential Multiphoton Absorption [My Copy] The Journal of Physical Chemistry A, Vol. 110, No. 17. (1 May 2006), pp. 5592-5598. by Nguyen-Thi Van-Oanh, Pierre Desesquelles, Stephane Douin, Philippe Brechignac
	Fragmentation branching ratios of highly excited hydrocarbon molecules C[sub n]H and their cations C[sub n]H[sup +] (n <= 4) [My Copy] The Journal of Chemical Physics, Vol. 128, No. 12. (2008), 124312. by T. Tuna, M. Chabot, T. Pino, et al.P. Désesquelles, A. LePadellec, G. Martinet, M. Barat, B. Lucas, F. Mezdari, L. Montagnon, N. T. Van Oanh, L. Lavergne, A. Lachaize, Y. Carpentier, K. Béroff
	On the dielectric conductivity of molecular ionic liquids [My Copy] The Journal of Chemical Physics, Vol. 131, No. 11. (2009), 114504. by Christian Schröder, Othmar Steinhauser
	Transport and Helfand moments in the Lennard-Jones fluid. I. Shear viscosity [My Copy] The Journal of Chemical Physics, Vol. 126, No. 18. (2007), 184512. by S. Viscardy, J. Servantie, P. Gaspard
	The static dielectric constant of water at pressures up to 20 kbar and temperatures to 1273 K: Experiment, simulations, and empirical equations [My Copy] Geochimica et Cosmochimica Acta, Vol. 59, No. 1. (January 1995), pp. 1-6. by E. Wasserman
	Comparison of basis set effects and the performance of <I>ab initio</I> and DFT methods for probing equilibrium fluctuations [My Copy] Journal of Computational Chemistry, Vol. 28, No. 2. (2007), pp. 478-490. by Ross C. Walker, Ian P. Mercer, Ian R. Gould, David R. Klug
	Theoretical IR Spectroscopy Based on QM/MM Calculations Provides Changes in Charge Distribution, Bond Lengths, and Bond Angles of the GTP Ligand Induced by the Ras-Protein [My Copy] Biophysical Journal, Vol. 88, No. 6. (June 2005), pp. 3829-3844. by M. Klahn
	Theory and applications of charge-transfer-to-solvent spectra [My Copy] Chemical Reviews, Vol. 70, No. 1. (1 February 1970), pp. 59-93. by Michael J. Blandamer, Malcom F. Fox
	Gaussian expansions of hydrogenic functions involving few variational parameters [My Copy] International Journal of Quantum Chemistry, Vol. 17, No. 6. (1980), pp. 1099-1109. by Marten J. Ten Hoor
	Gaussian-Orbital Approximation for the Hydrogen Atom by Minimization of Variance [My Copy] The Journal of Chemical Physics, Vol. 49, No. 12. (1968), pp. 5366-5368. by Marc Rendell, John Arents
	Calculation of the dielectric properties of a protein and its solvent: theory and a case study1 [My Copy] Journal of Molecular Biology, Vol. 270, No. 3. (18 July 1997), pp. 520-534. by Gerald Löffler, Hellfried Schreiber, Othmar Steinhauser
	Collective contributions to the dielectric relaxation of hydrogen-bonded liquids [My Copy] The Journal of Chemical Physics, Vol. 120, No. 24. (2004), pp. 11692-11697. by Hermann Weingärtner, Holger Nadolny, Alla Oleinikova, Ralf Ludwig
	NMR studies of rotational motion at low viscosity [My Copy] The Journal of Physical Chemistry, Vol. 93, No. 17. (1 August 1989), pp. 6550-6552. by R. F. Evilia, J. M. Robert, S. L. Whittenburg
	Fast Hartree-Fock calculations by simulated dynamics -- Part I: Formulation and a test application [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 70, No. 3. (1990), pp. 391-400. by H. Chacham, J. R. Mohallem
	A Hartree self-consistent field calculation on the helium atom [My Copy] European Journal of Physics, Vol. 12, No. 2. (1991), pp. 74-76. by F. Rioux
	Gaussian Wave Functions for the Hydrogen Molecule [My Copy] Nature, Vol. 186, No. 4727. (04 June 1960), pp. 799-800. by J. V. L. Longstaff, K. Singer
	Vibrational Analysis Beyond the Harmonic Regime From Ab-initio Molecular Dynamics [My Copy] Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 116, No. 1. (1 August 2006), pp. 347-354. by Nadia Rega
	Vibrational energy relaxation in proteins [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 102, No. 19. (10 May 2005), pp. 6726-6731. by Hiroshi Fujisaki, John E. Straub
	Conformational Dependence of Anharmonic Vibrations in Peptides: Amide-I Modes in Model Dipeptide [My Copy] The Journal of Physical Chemistry B, Vol. 112, No. 15. (1 April 2008), pp. 4790-4800. by Jianping Wang
	A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory. [My Copy] Journal of chemical theory and computation, Vol. 4, No. 9. (9 September 2008), pp. 1409-1422. by Kin-Yiu Y. Wong, Jiali Gao
	Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics [My Copy] The Journal of Chemical Physics, Vol. 121, No. 8. (2004), pp. 3368-3373. by Ian R. Craig, David E. Manolopoulos
	Exact solution of the Hartree-Fock equation for the $H2$ molecule in the linear-combination-of-atomic-orbitals approximation [My Copy] Physical Review A, Vol. 62, No. 1. (Jun 2000), 010501. by Alexander V. Mitin
	Infrared and molecular dynamics study of reorientational relaxation of liquid acetonitrile [My Copy] Chemical Physics, Vol. 138, No. 1. (1 November 1989), pp. 63-69. by S. Hashimoto
	The Infrared Intensity of the C-D Stretching Vibration in Deuterobenzene, m-Deuteronitrobenzene and m-Deuteroaniline [My Copy] Journal of the American Chemical Society, Vol. 77, No. 10. (1 May 1955), pp. 2886-2888. by William G. Dauben, George C. Pimentel, C. Wheaton Vaughan
	Temperature dependence of the infrared absorption cross sections of carbon tetrachloride [My Copy] Geophysical Research Letters, Vol. 19, No. 10., null. by John J. Orlando, Geoffrey S. Tyndall, Alvin Huang, Jack G. Calvert
	The temperature dependent, infrared absorption cross-sections for the chlorofluorocarbons: CFC-11, CFC-12, CFC-13, CFC-14, CFC-22, CFC-113, CFC-114, and CFC-115 [My Copy] Journal of Atmospheric Chemistry, Vol. 12, No. 3. (1 April 1991), pp. 211-227. by Anthony H. McDaniel, Chris A. Cantrell, James A. Davidson, Richard E. Shetter, Jack G. Calvert
	Calculation of vibrational infrared intensities and Raman activities using explicit anharmonic wave functions. [My Copy] The journal of physical chemistry. A, Vol. 111, No. 44. (8 November 2007), pp. 11205-11213. by Peter Seidler, Jacob Kongsted, Ove Christiansen
	Ab initio calculation of infrared intensities for the linear isoelectronic series HCN, HNC, CO, HCO[sup + ], and HOC[sup + ] [My Copy] The Journal of Chemical Physics, Vol. 77, No. 7. (1982), pp. 3615-3626. by Jerry D. Rogers, John J. Hillman
	Infrared intensities, polar tensors, and atomic population densities in molecules [My Copy] The Journal of Physical Chemistry, Vol. 80, No. 22. (1 October 1976), pp. 2521-2525. by W. T. King, G. B. Mast
	Temperature dependence of infrared and Raman intensities [My Copy] Journal of Molecular Spectroscopy, Vol. 9 (1962), pp. 191-203. by K. Illinger, D. Freeman
	On the temperature dependence of amide I intensities of peptides in solution [My Copy] Vibrational Spectroscopy, Vol. 50, No. 1. (26 May 2009), pp. 2-9. by Loren Ackels, Philipp Stawski, Krista E. Amunson, Jan Kubelka
	Infrared Intensities And Molecular Structure [My Copy] Chemical Reviews, Vol. 58, No. 3. (1 June 1958), pp. 581-608. by Theodore L. Brown
	Temperature-Dependent Conformational Transitions and Hydrogen-Bond Dynamics of the Elastin-Like Octapeptide GVG(VPGVG): A Molecular-Dynamics Study [My Copy] Vol. 86, No. 3. (1 March 2004), pp. 1393-1407. by Roger Rousseau, Eduard Schreiner, Axel Kohlmeyer, Dominik Marx posted by 1 person rpetrenko
	Gradient-based direct normal-mode analysis [My Copy] The Journal of Chemical Physics, Vol. 122, No. 18. (2005), 184106. by Alexey L. Kaledin
	Normal modes and frequencies from covariances in molecular dynamics or Monte Carlo simulations [My Copy] The Journal of Chemical Physics, Vol. 120, No. 1. (2004), pp. 1-4. by Alejandro Strachan
	Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids [My Copy] Chem. Commun., No. 11. (2005), pp. 1438-1440. by D. Bridget Williams, Michael E. Stoll, Brian L. Scott, David A. Costa, Warren J. Oldham, Jr posted by 1 person van-oanh
	Molecular Modeling of Imidazolium-Based [Tf2N−] Ionic Liquids: Microscopic Structure, Thermodynamic and Dynamic Properties, and Segmental Dynamics [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 20. (21 May 2009), pp. 7211-7224. by Georgia−evangelia Logotheti, Javier Ramos, Ioannis G. Economou
	The ldquoNon-nucleophilicrdquo Anion [Tf<SUB><FONT SIZE='-1'>2</FONT></SUB>N]<SUP><FONT SIZE='-1'>-</FONT></SUP> Competes with the Nucleophilic Br<SUP><FONT SIZE='-1'>-</FONT></SUP>: An Unexpected Trapping in the Dediazoniation Reaction in Ionic Liquids. [My Copy] ChemInform, Vol. 37, No. 26. (2006) by Riccardo Bini, Cinzia Chiappe, Elisa Marmugi, Daniela Pieraccini
	Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism [My Copy] The Journal of Chemical Physics, Vol. 125, No. 19. (2006), 194527. by Guoai Pan, Clare Mccabe
	Thermophysical Properties of Imidazolium-Based Ionic Liquids [My Copy] Journal of Chemical & Engineering Data, Vol. 49, No. 4. (1 July 2004), pp. 954-964. by Christopher P. Fredlake, Jacob M. Crosthwaite, Daniel G. Hert, Sudhir N. V. K. Aki, Joan F. Brennecke
	Computational Studies of Structures and Dynamics of 1,3-Dimethylimidazolim Salt Liquids and their Interfaces Using Polarizable Potential Models† [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 10. (12 March 2009), pp. 2127-2135. by Tsun-Mei Chang, Liem X. Dang
	Temperature Dependence of the Dielectric Properties and Dynamics of Ionic Liquids [My Copy] ChemPhysChem, Vol. 10, No. 4. (2009), pp. 723-733. by Johannes Hunger, Alexander Stoppa, Simon Schrödle, Glenn Hefter, Richard Buchner
	What Far-Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations [My Copy] ChemPhysChem, Vol. 10, No. 8. (2009), pp. 1181-1186. by Thorsten Köddermann, Koichi Fumino, Ralf Ludwig, José N. Canongia Lopes, Agílio A. H. Pádua posted by 1 person van-oanh
	A mode-coupling theory treatment of the transport coefficients of the Lennard--Jones fluid [My Copy] The Journal of Chemical Physics, Vol. 128, No. 14. (2008), 144508. by S. A. Egorov
	Collective rotational dynamics in ionic liquids: A computational and experimental study of 1-butyl-3-methyl-imidazolium tetrafluoroborate [My Copy] The Journal of Chemical Physics, Vol. 126, No. 8. (2007), 084511. by C. Schröder, C. Wakai, H. Weingärtner, O. Steinhauser
	A comparative study of two classical force fields on statics and dynamics of [EMIM][BF[sub 4]] investigated via molecular dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 129, No. 22. (2008), 224501. by Florian Dommert, Jochen Schmidt, Baofu Qiao, et al.Yuanyuan Zhao, Christian Krekeler, Luigi Delle Site, Robert Berger, Christian Holm
	The influence of electrostatic forces on the structure and dynamics of molecular ionic liquids [My Copy] The Journal of Chemical Physics, Vol. 128, No. 22. (2008), 224503. by C. Schröder, O. Steinhauser
	Impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate [My Copy] The Journal of Chemical Physics, Vol. 127, No. 4. (2007), 044505. by C. Schröder, T. Rudas, G. Neumayr, W. Gansterer, O. Steinhauser posted by 1 person van-oanh
	Exact solution for rotational relaxation times for problems governed by axially symmetric Fokker-Planck equations [My Copy] Journal of Molecular Structure, Vol. 416, No. 1-3. (20 October 1997), pp. 221-226. by W. Coffey
	Cause and effect reversed in non-equilibrium molecular dynamics: an easy route to transport coefficients [My Copy] Computational and Theoretical Polymer Science, Vol. 9, No. 3-4. (December 1999), pp. 203-209. by F. Müller-Plathe
	Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism [My Copy] The Journal of Chemical Physics, Vol. 128, No. 8. (2008), 084506. by Caroline Desgranges, Jerome Delhommelle
	The relationship between ionic structure and viscosity in room-temperature ionic liquids [My Copy] The Journal of Chemical Physics, Vol. 129, No. 12. (2008), 124507. by Hualin Li, Murvat Ibrahim, Ismail Agberemi, Mark N. Kobrak
	Structural and dynamical properties of ionic liquids: The influence of charge location [My Copy] The Journal of Chemical Physics, Vol. 130, No. 10. (2009), 104506. by H. V. Spohr, G. N. Patey
	The influence of thermostats and manostats on reverse nonequilibrium molecular dynamics calculations of fluid viscosities [My Copy] The Journal of Chemical Physics, Vol. 129, No. 1. (2008), 014102. by Thomas J. Müller, Michael A. Samman, Florian M. Plathe
	Thermal conductivity of diamond and related materials from molecular dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 113, No. 16. (2000), pp. 6888-6900. by Jianwei Che, Tahir Çag, Weiqiao Deng, William A. Goddard
	Quantum-classical limit of quantum correlation functions [My Copy] The Journal of Chemical Physics, Vol. 121, No. 16. (2004), pp. 7565-7576. by Alessandro Sergi, Raymond Kapral
	Evaluation of quantum correlation functions from classical data: Anharmonic models [My Copy] The Journal of Chemical Physics, Vol. 125, No. 7. (2006), 074107. by Hyojoon Kim, Peter J. Rossky
	Transport properties of quantum-classical systems [My Copy] The Journal of Chemical Physics, Vol. 122, No. 21. (2005), 214105. by Hyojoon Kim, Raymond Kapral posted by 1 person van-oanh
	Evaluation of Quantum Correlation Functions from Classical Data† [My Copy] The Journal of Physical Chemistry B, Vol. 106, No. 33. (1 August 2002), pp. 8240-8247. by Hyojoon Kim, Peter J. Rossky
	Far IR vibrational spectroscopic studies of the chemical dynamics of the pyridine/iodine system in solution [My Copy] Chemical Physics Letters, Vol. 267, No. 5-6. (28 March 1997), pp. 496-500. by T. Tassaing
	Far-Infrared Studies on the Intermolecular Dynamics of Systems Containing Water. The Influence of Ionic Interactions in NaCl, LiCl, and HCl Solutions [My Copy] The Journal of Physical Chemistry A, Vol. 103, No. 2. (1 January 1999), pp. 220-225. by Evangelos Zoidis, Jack Yarwood, Marcel Besnard
	Real time quantum correlation functions. I. Centroid molecular dynamics of anharmonic systems [My Copy] The Journal of Chemical Physics, Vol. 111, No. 20. (1999), pp. 9140-9146. by Goran Krilov, B. J. Berne
	Calculating Vibrational Energy Relaxation Rates from Classical Molecular Dynamics Simulations: Quantum Correction Factors for Processes Involving Vibration−Vibration Energy Transfer† [My Copy] The Journal of Physical Chemistry B, Vol. 105, No. 28. (1 July 2001), pp. 6716-6721. by J. L. Skinner, Kisam Park