نتائج البحث - "Maupin, C Mark"

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Report

FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability

المؤلفون: Panapitiya, Gihan, Gao, Peiyuan, Maupin, C Mark, Saldanha, Emily G

مصطلحات موضوعية: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2410.12156

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2

Academic Journal

Transport and Morphology of a Proton Exchange Membrane Based on a Doubly Functionalized Perfluorosulfonic Imide Side Chain Perflourinated Polymer

المؤلفون: Kusoglu, Ahmet, Vezzù, Keti, Hegde, Govind A, Nawn, Graeme, Motz, Andrew R, Sarode, Himanshu N, Haugen, Gregory M, Yang, Yuan, Seifert, Soenke, Yandrasits, Michael A, Hamrock, Steven, Maupin, C Mark, Weber, Adam Z, Di Noto, Vito, Herring, Andrew M

المصدر: Chemistry of Materials. 32(1)

مصطلحات موضوعية: Chemical Sciences, Engineering, Materials

URL الوصول: https://escholarship.org/uc/item/56p5d87m

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3

Academic Journal

ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling.

المؤلفون: Bennett, W. F. Drew, Bernardi, Austen, Ozturk, Tugba Nur, Ingólfsson, Helgi I., Fox, Stephen J., Sun, Delin, Maupin, C. Mark

المصدر: Molecules; Aug2024, Vol. 29 Issue 15, p3557, 11p

مصطلحات موضوعية: MULTISCALE modeling, MOLECULAR dynamics, CONDENSED matter, MOLECULAR structure, CELL membranes

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Academic Journal

Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study

المؤلفون: Bharadwaj, Vivek S., Vyas, Shubham, Villano, Stephanie M., Maupin, C. Mark, Dean, Anthony M.

المصدر: Physical Chemistry Chemical Physics ; volume 20, issue 14, page 9671-9671 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/c8cp90064g
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP90064G

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5

Academic Journal

A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes

المؤلفون: Saqib, Najmus, Silva, Cody J., Maupin, C. Mark, Porter, Jason M.

المصدر: Applied Spectroscopy ; volume 71, issue 7, page 1593-1599 ; ISSN 0003-7028 1943-3530

الاتاحة: https://doi.org/10.1177/0003702816684638
http://journals.sagepub.com/doi/pdf/10.1177/0003702816684638
http://journals.sagepub.com/doi/full-xml/10.1177/0003702816684638

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6

Academic Journal

Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II

المؤلفون: Taraphder, Srabani, Maupin, C. Mark, Swanson, Jessica M. J., Voth, Gregory A.

المساهمون: Council of Scientific and Industrial Research, Indo-US Science and Technology Forum, National Institute of General Medical Sciences

المصدر: The Journal of Physical Chemistry B ; volume 120, issue 33, page 8389-8404 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.6b02166
http://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6b02166
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6b02166

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7

Academic Journal

Molecular dynamic simulations of water contaminated biodiesel

المؤلفون: Pisierra, Nichole, Bharadwaj, Vivek S., Maupin, C. Mark

وصف الملف: posters; application/pdf

Relation: 2015 NSF Research Experiences for Undergraduates posters and presentations; https://hdl.handle.net/11124/171273; http://dx.doi.org/10.25676/11124/171273

الاتاحة: https://hdl.handle.net/11124/171273
https://doi.org/10.25676/11124/171273

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8

Academic Journal

Functional mesoporous silica nanoparticles for the selective sequestration of fatty acids

المؤلفون: Arsenault, Henry L., Bharadwj, Vivek, Maupin, C. Mark

وصف الملف: posters; application/pdf

Relation: 2014 NSF Research Experiences for Undergraduates posters and presentations; https://hdl.handle.net/11124/171237; http://dx.doi.org/10.25676/11124/171237

الاتاحة: https://hdl.handle.net/11124/171237
https://doi.org/10.25676/11124/171237

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9

Academic Journal

Cover Picture: Acetylcholine Promotes Binding of α‐Conotoxin MII at α 3 β 2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

المؤلفون: Sambasivarao, Somisetti V., Roberts, Jessica, Bharadwaj, Vivek S., Slingsby, Jason G., Rohleder, Conrad, Mallory, Chris, Groome, James R., McDougal, Owen M., Maupin, C. Mark

المصدر: ChemBioChem ; volume 15, issue 3, page 337-337 ; ISSN 1439-4227 1439-7633

الاتاحة: http://dx.doi.org/10.1002/cbic.201490004
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcbic.201490004
https://onlinelibrary.wiley.com/doi/full/10.1002/cbic.201490004

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10

Academic Journal

A charge-modified general amber force field for phospholipids: improved structural properties in the tensionless ensemble

المؤلفون: Slingsby, Jason G., Vyas, Shubham, Maupin, C. Mark

المصدر: Molecular Simulation ; volume 41, issue 18, page 1449-1458 ; ISSN 0892-7022 1029-0435

الاتاحة: http://dx.doi.org/10.1080/08927022.2014.985675
http://www.tandfonline.com/doi/pdf/10.1080/08927022.2014.985675

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11

Academic Journal

Functional mesoporous silica nanoparticles for the selective sequestration of fatty acids

المؤلفون: Grant, Benjamin, Bharadwaj, Vivek, Maupin, C. Mark

مصطلحات موضوعية: REMRSEC

وصف الملف: posters; application/pdf

Relation: 2013 NSF Research Experiences for Undergraduates posters and presentations; http://hdl.handle.net/11124/316; http://dx.doi.org/10.25676/11124/316

الاتاحة: http://hdl.handle.net/11124/316
https://doi.org/10.25676/11124/316

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12

Academic Journal

Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules.

المؤلفون: Drew Bennett, W. F., Fox, Stephen J., Sun, Delin, Maupin, C. Mark

المصدر: Membranes; Apr2022, Vol. 12 Issue 4, pN.PAG-N.PAG, 14p

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Academic Journal

Overview: Nucleation of clathrate hydrates.

المؤلفون: Warrier, Pramod, Khan, M. Naveed, Srivastava, Vishal, Maupin, C. Mark, Koh, Carolyn A.

المصدر: Journal of Chemical Physics; 2016, Vol. 145 Issue 21, p1-12, 12p, 5 Diagrams, 2 Charts, 4 Graphs

مصطلحات موضوعية: DISCONTINUOUS precipitation, HYDROPHOBIC compounds, CARBON sequestration, GAS hydrates, TEMPERATURE effect

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Academic Journal

Impact of water dilution and cation tail length on ionic liquid characteristics: Interplay between polar and non-polar interactions.

المؤلفون: Hegde, Govind A., Bharadwaj, Vivek S., Kinsinger, Corey L., Schutt, Timothy C., Pisierra, Nichole R., Maupin, C. Mark

المصدر: Journal of Chemical Physics; 2016, Vol. 145 Issue 6, p1-13, 13p, 1 Diagram, 1 Chart, 12 Graphs

مصطلحات موضوعية: IONIC liquids, DILUTION, WATER, POLAR interactions, LIGNOCELLULOSE, BIOMASS

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Anion exchange membranes composed of a poly(2,6-dimethyl-1,4-phenylene oxide) random copolymer functionalized with a bulky phosphonium cation

المؤلفون: Liu, Ye, Zhang, Bingzi, Kinsinger, Corey L., Yang, Yuan, Seifert, Soenke, Yan, Yushan, Maupin, C. Mark, Liberatore, Matthew W., Herring, Andrew M.

مصطلحات موضوعية: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY, 36 MATERIALS SCIENCE

وصف الملف: application/pdf

Relation: http://www.osti.gov/servlets/purl/1367274; https://www.osti.gov/biblio/1367274; https://doi.org/10.1016/j.memsci.2016.01.042

الاتاحة: http://www.osti.gov/servlets/purl/1367274
https://www.osti.gov/biblio/1367274
https://doi.org/10.1016/j.memsci.2016.01.042

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16

Academic Journal

Solvation Dynamics of HEHEHP Ligand at the Liquid–Liquid Interface

المؤلفون: Ta, An T., Hegde, Govind A., Etz, Brian D., Baldwin, Anna G., Yang, Yuan, Shafer, Jenifer C., Jensen, Mark P., Maupin, C. Mark, Vyas, Shubham

المساهمون: Nuclear Energy University Programs

المصدر: The Journal of Physical Chemistry B ; volume 122, issue 22, page 5999-6006 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.8b03165
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.8b03165

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17

Academic Journal

Quantum-Mechanical Study of the Reaction Mechanism for 2π–2π Cycloaddition of Fluorinated Methylene Groups

المؤلفون: Motz, Andrew R., Herring, Andrew M., Vyas, Shubham, Maupin, C. Mark

المساهمون: Office of Energy Efficiency and Renewable Energy

المصدر: The Journal of Organic Chemistry ; volume 82, issue 13, page 6578-6585 ; ISSN 0022-3263 1520-6904

الاتاحة: http://dx.doi.org/10.1021/acs.joc.7b00597
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.7b00597

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18

Academic Journal

Impact of Water-Dilution on the Solvation Properties of the Ionic Liquid 1-Methyltriethoxy-3-ethylimidazolium Acetate for Model Biomass Molecules

المؤلفون: Schutt, Timothy C., Hegde, Govind A., Bharadwaj, Vivek S., Johns, Adam J., Maupin, C. Mark

المساهمون: Division of Chemical, Bioengineering, Environmental, and Transport Systems

المصدر: The Journal of Physical Chemistry B ; volume 121, issue 4, page 843-853 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.6b09101
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.6b09101

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19

Academic Journal

Molecular Simulations of Fatty‐Acid Methyl Esters and Representative Biodiesel Mixtures

المؤلفون: Bharadwaj, Vivek S., Eagan, Nathaniel M., Wang, Nicholas M., Liberatore, Matthew W., Maupin, C. Mark

المساهمون: National Science Foundation

المصدر: ChemPhysChem ; volume 16, issue 13, page 2810-2817 ; ISSN 1439-4235 1439-7641

الاتاحة: http://dx.doi.org/10.1002/cphc.201500453
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcphc.201500453
https://onlinelibrary.wiley.com/doi/full/10.1002/cphc.201500453

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Academic Journal

Inside Cover: Molecular Simulations of Fatty‐Acid Methyl Esters and Representative Biodiesel Mixtures (ChemPhysChem 13/2015)

المؤلفون: Bharadwaj, Vivek S., Eagan, Nathaniel M., Wang, Nicholas M., Liberatore, Matthew W., Maupin, C. Mark

المصدر: ChemPhysChem ; volume 16, issue 13, page 2706-2706 ; ISSN 1439-4235 1439-7641

الاتاحة: http://dx.doi.org/10.1002/cphc.201500677
https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcphc.201500677
http://onlinelibrary.wiley.com/wol1/doi/10.1002/cphc.201500677/fullpdf

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