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Items where Person is "Pascal-T-A"

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Number of items: 29.

2018

Kim, In and Pascal, Tod A. and Park, Seong-Jik et al. (2018) pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics. Macromolecules, 51 (6). pp. 2187-2194. ISSN 0024-9297. https://resolver.caltech.edu/CaltechAUTHORS:20180418-103623373

2017

Kwac, Kijeong and Kim, In and Pascal, Tod A. et al. (2017) Multilayer Two-Dimensional Water Structure Confined in MoS_2. Journal of Physical Chemistry C, 121 (29). pp. 16021-16028. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20170706-103012655

2014

Pascal, Tod A. and Goddard, William A., III (2014) Interfacial Thermodynamics of Water and Six Other Liquid Solvents. Journal of Physical Chemistry B, 118 (22). pp. 5943-5956. ISSN 1520-6106. https://resolver.caltech.edu/CaltechAUTHORS:20140602-125744169

2013

Goddard, William A., III and Mishra, Himanshu and Colussi, A. J. et al. (2013) First principles based theory complemented with electrospray ionization mass spectrometry to address environmental abiotic and biotic reactions. In: 245th ACS National Meeting & Exposition, Abstracts of Papers, April 7-11, 2013, New Orleans, LA. https://resolver.caltech.edu/CaltechAUTHORS:20130729-103126540

Shin, Hyeyoung and Pascal, Tod A. and Goddard, William A., III et al. (2013) Scaled Effective Solvent Method for Predicting the Equilibrium Ensemble of Structures with Analysis of Thermodynamic Properties of Amorphous Polyethylene Glycol–Water Mixtures. Journal of Physical Chemistry B, 117 (3). pp. 916-927. ISSN 1520-6106. https://resolver.caltech.edu/CaltechAUTHORS:20130301-100135867

2012

Pascal, Tod A. and Schärf, Daniel and Jung, Yousung et al. (2012) On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields. Journal of Chemical Physics, 137 (24). Art. No. 244507 . ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20130131-095211301

Pascal, Tod A. and Goddard, William A., III (2012) Hydrophobic Segregation, Phase Transitions and the Anomalous Thermodynamics of Water/Methanol Mixtures. Journal of Physical Chemistry B, 116 (47). pp. 13905-13912. ISSN 1520-6106. https://resolver.caltech.edu/CaltechAUTHORS:20130111-105444126

Pascal, Tod A. and Goddard, William A., III and Maiti, Prabal K. et al. (2012) Role of Specific Cations and Water Entropy on the Stability of Branched DNA Motif Structures. Journal of Physical Chemistry B, 116 (40). pp. 12159-12167. ISSN 1520-6106. https://resolver.caltech.edu/CaltechAUTHORS:20121113-113520226

Lee, Seung Geol and Pascal, Tod A. and Koh, Wonsang et al. (2012) Deswelling Mechanisms of Surface-Grafted Poly(NIPAAm) Brush: Molecular Dynamics Simulation Approach. Journal of Physical Chemistry C, 116 (30). pp. 15974-15985. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20121010-144500177

Goddard, William A. and Pascal, Tod and Jaramillo-Botero, Andres et al. (2012) New methods for predicting structures, transformations, dynamics, and free energies of macromolecular systems. In: 244th ACS National Meeting & Exposition, August 19-23, 2012, Philadelphia, PA. https://resolver.caltech.edu/CaltechAUTHORS:20120821-142736508

Jeon, Jiwon and Kim, Hyungjun and Goddard, William A., III et al. (2012) The Role of Confined Water in Ionic Liquid Electrolytes for Dye-Sensitized Solar Cells. Journal of Physical Chemistry Letters, 3 (4). pp. 556-559. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20120327-141846288

Pascal, Tod A. and Lin, Shiang-Tai and Goddard, William A., III et al. (2012) Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic. Journal of Physical Chemistry Letters, 3 (3). pp. 294-298. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20120302-121800764

2011

Mendoza-Cortés, José L. and Pascal, Tod A. and Goddard, William A., III (2011) Design of Covalent Organic Frameworks for Methane Storage. Journal of Physical Chemistry A, 115 (47). pp. 13852-13857. ISSN 1089-5639. https://resolver.caltech.edu/CaltechAUTHORS:20111223-112947752

Pascal, Tod A. and He, Yi and Jiang, Shaoyi et al. (2011) Thermodynamics of Water Stabilization of Carboxybetaine Hydrogels from Molecular Dynamics Simulations. Journal of Physical Chemistry Letters, 2 (14). pp. 1757-1760. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20110812-111657965

Pascal, Tod A. and Goddard, William A., III and Jung, Yousung (2011) Entropy and the driving force for the filling of carbon nanotubes with water. Proceedings of the National Academy of Sciences of the United States of America, 108 (29). pp. 11794-11798. ISSN 0027-8424. PMCID PMC3141970. https://resolver.caltech.edu/CaltechAUTHORS:20110803-120608933

Pascal, Tod A. and Boxe, Christopher and Goddard, William A., III (2011) An Inexpensive, Widely Available Material for 4 wt % Reversible Hydrogen Storage Near Room Temperature. Journal of Physical Chemistry Letters, 2 (12). pp. 1417-1420. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20110713-085129572

Huang, Shao-Nung and Pascal, Tod A. and Goddard, William A., III et al. (2011) Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model. Journal of Chemical Theory and Computation, 7 (6). pp. 1893-1901. ISSN 1549-9626. https://resolver.caltech.edu/CaltechAUTHORS:20110627-164401296

Huang, Mingyuan and Pascal, Tod A. and Kim, Hyungjun et al. (2011) Electronic-Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations. Nano Letters, 11 (3). pp. 1241-1246. ISSN 1530-6984. https://resolver.caltech.edu/CaltechAUTHORS:20110329-092152539

Jaramillo-Botero, Andres and Nielsen, Robert and Abrol, Ravi et al. (2011) First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes. In: Multiscale Molecular Methods in Applied Chemistry. Topics in Current Chemistry. No.307. Springer , Berlin, pp. 1-42. ISBN 9783642249679. https://resolver.caltech.edu/CaltechAUTHORS:20111031-095200294

Pascal, Tod A. and Lin, Shiang-Tai and Goddard, William A., III (2011) Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics. Physical Chemistry Chemical Physics, 13 (1). pp. 169-181. ISSN 1463-9076. https://resolver.caltech.edu/CaltechAUTHORS:20101129-111758862

2010

Pascal, Tod A. and Abrol, Ravinder and Mittal, Rahul et al. (2010) Experimental Validation of the Predicted Binding Site of Escherichia coli K1 Outer Membrane Protein A to Human Brain Microvascular Endothelial Cells: Identification of Critical Mutations That Prevent E. coli Meningitis. Journal of Biological Chemistry, 285 (48). pp. 37753-37761. ISSN 0021-9258. PMCID PMC2988380. https://resolver.caltech.edu/CaltechAUTHORS:20110105-080744616

Pascal, Tod A. and Karasawa, Naoki and Goddard, William A., III (2010) Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite. Journal of Chemical Physics, 133 (13). Art. No. 134114. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20101101-105750191

Shin, Young Shik and Ahmad, Habib and Shi, Qihui et al. (2010) Chemistries for Patterning Robust DNA MicroBarcodes Enable Multiplex Assays of Cytoplasm Proteins from Single Cancer Cells. ChemPhysChem, 11 (14). pp. 3063-3069. ISSN 1439-4235. PMCID PMC3681607. https://resolver.caltech.edu/CaltechAUTHORS:20101108-150340183

2009

Wang, Sen and Amornwittawat, Natapol and Juwita, Vonny et al. (2009) Arginine, a Key Residue for the Enhancing Ability of an Antifreeze Protein of the Beetle Dendroides canadensis. Biochemistry, 48 (40). pp. 9696-9703. ISSN 0006-2960. PMCID PMC2760095. https://resolver.caltech.edu/CaltechAUTHORS:20091022-130051821

Darwanto, Agus and Theruvathu, Jacob A. and Sowers, James L. et al. (2009) Mechanisms of base selection by human single-stranded selective monofunctional uracil-DNA glycosylase. Journal of Biological Chemistry, 284 (23). pp. 15835-15846. ISSN 0021-9258. PMCID PMC2708880. https://resolver.caltech.edu/CaltechAUTHORS:20090709-123230212

2008

Liu, Pingfang and Theruvathu, Jacob A. and Darwanto, Agus et al. (2008) Mechanisms of base selection by the E.coli mispaired uracil glycosylase. Journal of Biological Chemistry, 283 (14). pp. 8829-8836. ISSN 0021-9258. PMCID PMC2276368. https://resolver.caltech.edu/CaltechAUTHORS:LIUjbc08

2007

Maiti, Prabal K. and Pascal, Tod A. and Vaidehi, Nagarajan et al. (2007) Understanding DNA based Nanostructures. Journal of Nanoscience and Nanotechnology, 7 (6). pp. 1712-1720. ISSN 1533-4880. https://resolver.caltech.edu/CaltechAUTHORS:MAIjnn07

2006

Maiti, Prabal K. and Pascal, Tod A. and Vaidehi, Nagarajan et al. (2006) Atomic-Level Simulations of Seeman DNA Nanostructures: The Paranemic Crossover in Salt Solution. Biophysical Journal, 90 (5). pp. 1463-1479. ISSN 0006-3495. PMCID PMC1367300. https://resolver.caltech.edu/CaltechAUTHORS:20190226-161805256

2004

Maiti, Prabal K. and Pascal, Tod A. and Vaidehi, Nagarajan et al. (2004) The stability of Seeman JX DNA topoisomers of paranemic crossover (PX) molecules as a function of crossover number. Nucleic Acids Research, 32 (20). pp. 6047-6056. ISSN 0305-1048. PMCID PMC534617. https://resolver.caltech.edu/CaltechAUTHORS:MAInar04

This list was generated on Mon Aug 10 08:22:52 2020 PDT.