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	Dependence of the l-Alanyl-l-Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra [My Copy] The Journal of Physical Chemistry B, Vol. 112, No. 6. (1 February 2008), pp. 1796-1805. by Vladimir Sychrovsky, Milos Budesinsky, Ladislav Benda, et al.Vladimir Spirko, Zuzana Vokačova, Jaroslav Sebestik, Petr Bour posted to structure paper1 nmr by whitead on 2009-09-12 22:32:45 as along with 1 group Jiang Research Group
	14N NMR relaxation times of several protein amino acids in aqueous solution—comparison with 17O NMR data and estimation of the relative hydration numbers in the cationic and zwitterionic forms [My Copy] Journal of Magnetic Resonance, Vol. 164, No. 2. (October 2003), pp. 294-303. by A. Troganis posted to water structure paper1 nmr hydration by whitead on 2009-09-09 23:06:53 as along with 1 group Jiang Research Group
	Anomalous Dynamics of Hydration Water in Carbohydrate Solutions [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 39. (1 October 2009), pp. 12999-13006. by Matías H. H. Pomata, Milton T. Sonoda, Munir S. Skaf, M. Dolores Elola posted to water structure paper1 molecular hydration dynamics by whitead on 2009-09-09 17:56:04 as along with 1 person and 1 group qshao Jiang Research Group
	Solvent-localized NMR spectroscopy using the distant dipolar field: A method for NMR separations with a single gradient [My Copy] Journal of Magnetic Resonance, Vol. 176, No. 1. (September 2005), pp. 120-124. by C. Faber posted to water structure solvent nmr by whitead on 2009-09-04 22:52:12 as along with 1 group Jiang Research Group
	Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles [My Copy] Journal of Magnetic Resonance, Vol. 197, No. 2. (April 2009), pp. 153-160. by Agnieszka Ksiazek, Piotr Borowski, Krzysztof Wolinski posted to water structure nmr by whitead on 2009-09-04 22:51:56 as along with 1 group Jiang Research Group
	When Sugars Get Wet. A Comprehensive Study of the Behavior of Water on the Surface of Oligosaccharides [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 31. (6 August 2009), pp. 11003-11015. by Sai K. Ramadugu, Ying-Hua Chung, Junchao Xia, Claudio J. Margulis posted to water structure oligosaccharides molecular dynamics by whitead on 2009-08-25 17:41:43 as along with 2 people and 1 group francescamocci qshao Jiang Research Group
	On the Number of Water Molecules Necessary To Stabilize the Glycine Zwitterion [My Copy] Journal of the American Chemical Society, Vol. 117, No. 31. (1 August 1995), pp. 8159-8170. by Jan H. Jensen, Mark S. Gordon posted to water structure solvation quantum paper1 glycine by whitead on 2009-08-14 17:23:11 as along with 1 group Jiang Research Group
	A new order parameter for tetrahedral configurations [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 93, No. 3. (1998), pp. 511-518. by Chau, A. J. Hardwick posted to water tetrahedral structure paper1 order by whitead on 2009-08-13 18:34:54 as along with 1 group Jiang Research Group
	Relationship between structural order and the anomalies of liquid water [My Copy] Nature, Vol. 409, No. 6818. (18 January 2001), pp. 318-321. by Jeffrey R. Errington, Pablo G. Debenedetti posted to water structure paper1 by whitead on 2009-08-13 18:33:31 as along with 1 person and 1 group qshao Jiang Research Group
	Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin−Spin Coupling [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 44. (5 November 2009), pp. 14698-14707. by Martin Dračínský, Jakub Kaminský, Petr Bouř posted to water structure paper1 nmr experiment alanine by whitead on 2009-07-07 20:13:24 as along with 4 people and 1 group ehesan kubikuk thegoose carlosjavierna Jiang Research Group
	Water Structure at Air/Acetonitrile Aqueous Solution Interfaces [My Copy] The Journal of Physical Chemistry C In The Journal of Physical Chemistry C, Vol. 113, No. 32. (13 August 2009), pp. 14384-14389. by Yi Rao, Nicholas J. Turro, Kenneth B. Eisenthal posted to experiment interface structure water by whitead on 2009-07-06 15:44:17 as along with 3 people and 1 group willard carlosjavierna qshao Jiang Research Group
	MODELING WATER, THE HYDROPHOBIC EFFECT, AND ION SOLVATION [My Copy] Annual Review of Biophysics and Biomolecular Structure, Vol. 34, No. 1. (2005), pp. 173-199. by Ken A. Dill, Thomas M. Truskett, Vojko Vlachy, Barbara H. Lee posted to water structure review paper1 model by whitead on 2009-06-29 08:12:46 as along with 2 people and 1 group Lombardo_7 Elena_Zubova Jiang Research Group
	Dynamics of chemical processes in polar solvents [My Copy] Nature, Vol. 370, No. 6487. (28 July 1994), pp. 263-269. by Peter J. Rossky, John D. Simon posted to solvation structure water by whitead on 2009-06-26 22:02:21 as along with 1 group Jiang Research Group
	Femtosecond solvation dynamics of water [My Copy] Nature, Vol. 369 (June 1994), pp. 471-473. by R. Jimenez, G. R. Fleming, P. V. Kumar, M. Maroncelli posted to water structure solvation paper1 femtosecond experiment dynamics by whitead on 2009-06-26 22:01:56 as along with 1 person and 1 group mlg Jiang Research Group
	Neutron scattering experiments on aqueous sodium chloride solutions and heavy water. Comparison to molecular dynamics and X-ray results [My Copy] Journal of Molecular Structure, Vol. 892, No. 1-3. (15 December 2008), pp. 47-52. by S. Bouazizi, F. Hammami, S. Nasr, M. Bellissentfunel posted to water structure scattering paper1 neutron experiment 2b6rvptx by whitead on 2009-06-26 19:16:15 as along with 1 group Jiang Research Group
	Phase transitions and H2O motions in [Ca(H2O)4](ClO4)2 studied by infrared spectroscopy, inelastic/quasielastic incoherent neutron scattering and proton magnetic resonance. Part II [My Copy] Journal of Molecular Structure, Vol. 923, No. 1-3. (17 April 2009), pp. 103-109. by Joanna Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli, Krystyna Hołderna-Natkaniec, Łukasz Hetmańczyk, Ireneusz Natkaniec posted to experiment neutron scattering structure water 2b6rvptx by whitead on 2009-06-26 19:16:10 as along with 1 group Jiang Research Group
	Influence of Hydration on Protein Dynamics: Combining Dielectric and Neutron Scattering Spectroscopy Data [My Copy] J. Phys. Chem. B (23 October 2008) by S. Khodadadi, S. Pawlus, A. P. Sokolov posted to water structure scattering paper1 neutron experiment 2b6rvptx by whitead on 2009-06-26 19:16:02 as along with 1 person and 1 group paulschlesinger Jiang Research Group
	Detailed structural analysis of a 2 molal aqueous rubidium bromide solution: A combined molecular dynamics and Reverse Monte Carlo approach [My Copy] Journal of Molecular Liquids, Vol. 147, No. 1-2. (20 July 2009), pp. 52-55. by László Pusztai, Hector Dominguez, Orest Pizio, Stefan Sokolowski posted to carlo experiment monte neutron scattering structure water 2b6rvptx by whitead on 2009-06-26 19:15:57 as along with 1 group Jiang Research Group
	Dynamics of Water and Ions Near DNA: Comparison of Simulation to Time-Resolved Stokes-Shift Experiments [My Copy] Journal of the American Chemical Society, Vol. 131, No. 5. (11 February 2009), pp. 1724-1735. by Sobhan Sen, Daniele Andreatta, Sergei Y. Ponomarev, David L. Beveridge, Mark A. Berg posted to dynamics femtosecond solvation structure water 2b6rvptx by whitead on 2009-06-26 19:03:36 as along with 2 people and 2 groups anuragsethi sobolevnrm Jiang Research Group baker-group
	Dissimilar Dynamics of Coupled Water Vibrations [My Copy] The Journal of Physical Chemistry A, Vol. 113, No. 22. (4 June 2009), pp. 6260-6265. by Thomas Jansen, Dan Cringus, Maxim S. Pshenichnikov posted to dynamics experiment femtosecond solvation structure water 2b6rvptx by whitead on 2009-06-26 19:03:09 as along with 1 group Jiang Research Group
	Assessment of the Pairwise Additive Approximation and Evaluation of Many-Body Terms for Water Clusters [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 22. (1 June 2006), pp. 10595-10601. by Erin E. Dahlke, Donald G. Truhlar posted to structure water 0mgmezxr by whitead on 2009-06-26 18:58:26 as along with 1 group Jiang Research Group
	Solvation response in water: a study based on molecular dynamics simulations and quantum mechanical calculations [My Copy] Journal of Molecular Liquids, Vol. 117, No. 1-3. (15 March 2005), pp. 85-92. by F. Ingrosso, A. Tani, J. Tomasi posted to water structure paper1 molecular dynamics 0mgmezxr by whitead on 2009-06-26 18:55:16 as along with 1 group Jiang Research Group
	Conformation, dynamics, solvation and relative stabilities of selected beta-hexopyranoses in water: a molecular dynamics study with the GROMOS 45A4 force field. [My Copy] Carbohydrate research, Vol. 342, No. 14. (15 October 2007), pp. 2097-2124. by V. Kräutler, M. Müller, P. H. Hünenberger posted to water sugar structure paper1 molecular dynamics 0mgmezxr by whitead on 2009-06-26 18:54:09 as along with 1 group Jiang Research Group
	Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals† [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 8. (1 March 2006), pp. 3685-3691. by Teodora Todorova, Ari P. Seitsonen, Jurg Hutter, I-Feng W. Kuo, Christopher J. Mundy posted to ab-initio dynamics molecular structure water 0mgmezxr by whitead on 2009-06-26 18:52:22 as along with 1 group Jiang Research Group
	Temperature-Dependent Mechanisms for the Dynamics of Protein-Hydration Waters: A Molecular Dynamics Simulation Study [My Copy] The Journal of Physical Chemistry B, Vol. 113, No. 28. (16 July 2009), pp. 9386-9392. by M. Vogel posted to md peptides structure water 0mgmezxr by whitead on 2009-06-26 02:13:39 as along with 2 people and 1 group willard carlosjavierna Jiang Research Group
	Electric field effects on water clusters (n = 3--5): Systematic ab initio study of structures, energetics, and transition states [My Copy] The Journal of Chemical Physics, Vol. 124, No. 9. (2006), 094308. by Young C. Choi, Chaeho Pak, Kwang S. Kim posted to ab-initio md qm structure water ijgzisa by whitead on 2009-06-25 23:37:31 as along with 1 group Jiang Research Group
	The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water [My Copy] The Journal of Chemical Physics, Vol. 122, No. 1. (2005), 014515. by Joost VandeVondele, Fawzi Mohamed, Matthias Krack, Jürg Hutter, Michiel Sprik, Michele Parrinello posted to water structure qm paper1 md ijgzisa ab-initio by whitead on 2009-06-25 23:37:04 as along with 1 group Jiang Research Group
	Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations [My Copy] Science, Vol. 309, No. 5736. (5 August 2005), pp. 914-917. by Laszlo Turi, Wen-Shyan Sheu, Peter J. Rossky posted to anions electron-hamiltonian qm structure water ijgzisa by whitead on 2009-06-25 23:25:22 as along with 1 group Jiang Research Group
	What ice can teach us about water interactions: a critical comparison of the performance of different water models [My Copy] Faraday Discuss., Vol. 141 (2009), pp. 251-276. by C. Vega, J. L. F. Abascal, M. M. Conde, J. L. Aragones posted to water structure review paper1 models comparison by whitead on 2009-06-25 21:34:44 as along with 1 person and 1 group softsimu Jiang Research Group
	Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew [My Copy] The Journal of Chemical Physics, Vol. 120, No. 20. (2004), pp. 9665-9678. by Hans W. Horn, William C. Swope, Jed W. Pitera, et al.Jeffry D. Madura, Thomas J. Dick, Greg L. Hura, Teresa H. Gordon posted to water tip4p structure paper1 force field by whitead on 2009-03-20 18:06:49 as along with 3 people and 1 group bmduggan Lombardo_7 softsimu Jiang Research Group
	Liquid Water from First Principles: Investigation of Different Sampling Approaches [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 34. (1 August 2004), pp. 12990-12998. by I-Feng W. Kuo, Christopher J. Mundy, Matthew J. McGrath, et al.J. Ilja Siepmann, Joost VandeVondele, Michiel Sprik, Jurg Hutter, Bin Chen, Michael L. Klein, Fawzi Mohamed, Matthias Krack, Michele Parrinello posted to water structure paper1 by whitead on 2009-03-20 18:06:34 as along with 1 group Jiang Research Group
	Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics. II. A Seven-Site Fluctuating Charge and Flexible Body Water Potential Function for Liquid Water [My Copy] The Journal of Physical Chemistry A, Vol. 108, No. 37. (1 September 2004), pp. 7563-7576. by Yang Wu, Zhong-Zhi Yang posted to field force polarizable structure water by whitead on 2009-03-20 18:06:23 as along with 1 group Jiang Research Group
	From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model [My Copy] The Journal of Chemical Physics, Vol. 122, No. 24. (2005), 244511. by Patrice Paricaud, Milan Predota, Ariel A. Chialvo, Peter T. Cummings posted to structure water by whitead on 2009-03-20 18:03:11 as along with 1 group Jiang Research Group
	Structural Correlations and Motifs in Liquid Water at Selected Temperatures: Ab Initio and Empirical Model Predictions† [My Copy] The Journal of Physical Chemistry B, Vol. 110, No. 8. (1 March 2006), pp. 3540-3554. by Yves A. Mantz, Bin Chen, Glenn J. Martyna posted to water structure paper1 by whitead on 2009-03-20 18:01:29 as along with 1 group Jiang Research Group
	Limitations of the rigid planar nonpolarizable models of water [My Copy] The Journal of Chemical Physics, Vol. 124, No. 7. (2006), 074507. by András Baranyai, Albert Bartók, Ariel A. Chialvo posted to field force polarizable structure water by whitead on 2009-03-20 07:49:01 as along with 1 group Jiang Research Group
	Electronic continuum model for molecular dynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 130, No. 8. (2009), 085102. by I. V. Leontyev, A. A. Stuchebrukhov posted to dynamics field force molecular structure water by whitead on 2009-03-05 17:46:27 as along with 2 people and 2 groups sobolevnrm dlimmer baker-group Jiang Research Group
	Electronic structure of liquid water from polarization-dependent two-photon absorption spectroscopy [My Copy] The Journal of Chemical Physics, Vol. 130, No. 8. (2009) by Christopher G. Elles, Christopher A. Rivera, Yuyuan Zhang, Piotr A. Pieniazek, Stephen E. Bradforth posted to experimental structure water by whitead on 2009-03-05 17:22:23 as along with 1 group Jiang Research Group
	A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions [My Copy] The Journal of Chemical Physics, Vol. 122, No. 20. (2005), 204511. by Sau L. Lee, Pablo G. Debenedetti, Jeffrey R. Errington posted to water structure paper1 molecular dynamics by whitead on 2009-03-03 07:34:02 as along with 1 person and 1 group edws Jiang Research Group
	Molecular interpretation of water structuring and destructuring effects: Hydration of alkanediols [My Copy] The Journal of Chemical Physics, Vol. 121, No. 24. (2004), pp. 12402-12410. by Milind M. Deshmukh, Nandhibatla V. Sastry, Shridhar R. Gadre posted to water structure paper1 by whitead on 2009-03-03 07:30:42 as along with 1 group Jiang Research Group
	Computational study of structural and dynamical properties of formamide-water mixtures [My Copy] The Journal of Chemical Physics, Vol. 125, No. 18. (2006) by Dolores M. Elola, Branka M. Ladanyi posted to water structure paper1 molecular dynamics by whitead on 2009-03-03 07:30:33 as along with 1 group Jiang Research Group
	Hydrogen bond dynamics and water structure in glucose-water solutions by depolarized Rayleigh scattering and low-frequency Raman spectroscopy [My Copy] The Journal of Chemical Physics, Vol. 127, No. 2. (2007) by Marco Paolantoni, Paola Sassi, Assunta Morresi, Sergio Santini posted to water structure paper1 experimental by whitead on 2009-03-03 07:29:49 as along with 1 group Jiang Research Group
	Hydrogen-bond network and local structure of liquid water: An atoms-in-molecules perspective [My Copy] The Journal of Chemical Physics, Vol. 129, No. 12. (2008) by Haigang Lu, Yuekui Wang, Yanbo Wu, Pin Yang, Lemin Li, Sidian Li posted to water structure paper1 by whitead on 2009-03-03 02:25:07 as along with 1 group Jiang Research Group
	The hydration of glucose: the local configurations in sugar-water hydrogen bonds [My Copy] Phys. Chem. Chem. Phys., Vol. 10, No. 1. (2008), pp. 96-105. by Teppei Suzuki posted to water sugar structure paper1 hydration by whitead on 2009-03-03 02:21:17 as along with 1 group Jiang Research Group
	Free energy of liquid water from a computer simulation via cell theory [My Copy] The Journal of Chemical Physics, Vol. 126, No. 6. (2007) by Richard H. Henchman posted to energy entropy free structure water by whitead on 2009-03-03 01:49:39 as along with 1 person and 1 group richtec Jiang Research Group
	Adiabatic Nuclear and Electronic Sampling Monte Carlo Simulations in the Gibbs Ensemble: Application to Polarizable Force Fields for Water [My Copy] The Journal of Physical Chemistry B, Vol. 104, No. 10. (1 March 2000), pp. 2378-2390. by Bin Chen, Jeffrey J. Potoff, Ilja J. Siepmann posted to field force structure water by whitead on 2009-03-03 01:42:20 as along with 1 group Jiang Research Group
	X-ray absorption spectrum of liquid water from molecular dynamics simulations: Asymmetric model [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 73, No. 2. (2006) by Michael Odelius, Matteo Cavalleri, Anders Nilsson, Lars G. M. Pettersson posted to water structure paper1 molecular dynamics by whitead on 2009-03-03 01:35:25 as along with 1 group Jiang Research Group
	Effect of Environment on Hydrogen Bond Dynamics in Liquid Water [My Copy] Physical Review Letters, Vol. 76 (February 1996), pp. 928-931. by A. Luzar, D. Chandler posted to water structure paper1 molecular dynamics by whitead on 2009-03-03 01:35:13 as along with 1 person and 1 group pavanghatty Jiang Research Group
	Are water simulation models consistent with steady-state and ultrafast vibrational spectroscopy experiments? [My Copy] Chemical Physics, Vol. 341, No. 1-3. (15 November 2007), pp. 143-157. by J. Schmidt, S. Roberts, J. Loparo, A. Tokmakoff, M. Fayer, J. Skinner posted to water structure paper1 molecular dynamics by whitead on 2009-03-03 01:35:00 as along with 1 group Jiang Research Group
	Accurate Density Functional Calculations of Near-Edge X-Ray and Optical Absorption Spectra of Liquid Water Using Nonperiodic Boundary Conditions: The Role of Self-Interaction and Long-Range Effects [My Copy] Physical Review Letters, Vol. 100, No. 10. (2008) by Giuseppe Brancato, Nadia Rega, Vincenzo Barone posted to dft structure water by whitead on 2009-03-03 01:32:57 as along with 1 group Jiang Research Group
	Development of Polarizable Water Force Fields for Phase Equilibrium Calculations [My Copy] The Journal of Physical Chemistry B, Vol. 104, No. 10. (1 March 2000), pp. 2391-2401. by Bin Chen, Jianhua Xing, J. Ilja Siepmann posted to dynamics field force molecular structure water by whitead on 2009-03-03 01:16:36 as along with 1 person and 1 group kulinskii Jiang Research Group

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