Data Visualization using Functional Data Analysis

Συγγραφείς: Chen, Haozhe, Correa, Andres Duque, Wolf, Guy, Moon, Kevin R.

Πηγή: 2025 International Conference on Sampling Theory and Applications (SampTA) Sampling Theory and Applications (SampTA), 2025 International Conference on. :1-5 Jul, 2025

Relation: 2025 International Conference on Sampling Theory and Applications (SampTA)

Electrochemical Stability Windows of Imidazolium-Based Ionic Liquids for Aluminum Batteries: Computational Insights into Cation Functionalization and Fluoride-Containing Anions

Συγγραφείς: Megha^aff1, Alizadeh Sahraei, Abolfazl^{aff1, aff2}, Larachi, Faïçal^aff1

Πηγή: The Journal of Physical Chemistry B. 129(47):12231-12248

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c06459

Nonmonotonic Ionic Transport and Its Correlation with Structural and Dynamic Heterogeneities in NaTFSI and NaFSI-Based Aqueous Electrolytes: Salt-in-Water versus Water-in-Salt

Συγγραφείς: Singh, Navneet^aff1, Kashyap, Hemant K.^{aff1, aff2}

Πηγή: The Journal of Physical Chemistry B. 129(47):12200-12210

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05140

Deep Eutectic Solvents as Catalysts for Hydrogen Sulfide Splitting via the Iodine Thermochemical Cycle: A Theoretical Study of a Potential Route to Hydrogen Production

Συγγραφείς: Arias-Gallego, Carolina^aff1, Sarathy, S. Mani^aff1, Hazazi, Khalid^aff2, Monge-Palacios, Manuel^aff1

Πηγή: The Journal of Physical Chemistry B. 129(47):12220-12230

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c06262

Ionic Liquids under Radiation and the Dimer Radical Dicyanamide Anion

Συγγραφείς: Nguyen, Hung H.^aff1, Huber, Katie^aff2, Das, Dishan^aff1, Wishart, James F.^aff3, Blank, David A.^aff2, Margulis, Claudio J.^aff1

Πηγή: The Journal of Physical Chemistry B. 129(47):12261-12266

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c07381

Molecular Dynamics Investigation on the Coupled Effects of Temperature, Pressure, and Salinity on the Growth and Structural Evolution of H2S Hydrates

Συγγραφείς: Sun, Ningru^{aff1, aff2}, Sun, Jiyue^aff3, Su, Minru^aff4, Sun, Lei^aff5, Lin, Juezhi^aff6, Hu, Yitao^aff1, Jiang, Lei^aff6, Du, Shiyu^{aff7, aff8}

Πηγή: The Journal of Physical Chemistry B. 129(47):12211-12219

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05285

Quantum Chemistry Investigation of Equilibria of Molecular Switches in Solution: Thermodynamics and UV/Visible Absorption Spectra

Συγγραφείς: Zutterman, Freddy, Quertinmont, Jean, Champagne, Benoît

Πηγή: The Journal of Physical Chemistry B. 129(46):12005-12018

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05837

Structural and Dynamical Characterization of Aqueous Hexahydrate Aluminum Nitrate Electrolyte Solution

Συγγραφείς: Sarkar, Sarmistha^aff1, H Radhakantha, Vishnu Priya^aff2, Mukhopadhyay, Titas Kumar^aff3, Mondal, Sayantan^aff4, Halder, Suraj^aff2, Jain, Sheetal Kumar^aff2, Datta, Ayan^aff5, Bhattacharyya, Aninda Jiban^{aff1, aff2}, Bagchi, Biman^aff2

Πηγή: The Journal of Physical Chemistry B. 129(46):11995-12004

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c04741

Thermal Property and Structure of Toxic Fluoride Molten Salt for Efficient Nuclear Energy Application Using Machine Learning Molecular Dynamics

Συγγραφείς: Tian, Heqing, Liu, Tianyu, Lan, Xianyou

Πηγή: The Journal of Physical Chemistry B. 129(45):11862-11871

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c06761

1H/15N NMR and Low-Field 1H MRI of SABRE-Hyperpolarized PyrazinamideAn Approved Antibiotic and Potential MRI Contrast Agent

Συγγραφείς: Siraj, Zahid^aff1, Petrilla, Anthony F.^aff1, Senanayake, Ishani M.^aff1, Iqbal, Nadiya^aff1, Gyesi, Joseph N.^aff3, Westerfield, Jasilyn^aff1, Daluwathumullagamage, Praveen J.^aff1, Shchepin, Roman V.^aff2, Ragunathan, Sudarshan^aff4, Chekmenev, Eduard Y.^aff3, Goodson, Boyd M.^aff1

Πηγή: The Journal of Physical Chemistry B. 129(45):11843-11850

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05707

Uncovering the Molecular Mechanism and Dissolution Behavior of a Thyroid Inhibitor Methimazole (Form I) in Three Binary Solvents Based on Experiments, Quantum Simulations and Thermodynamic Analysis

Συγγραφείς: Zhang, Pengshuai^aff1, Wu, Binbin^aff1, Xu, Jiaxuan^aff1, Zhang, Yixin^aff2, Chen, Qianjin^aff1, Bao, Ruipeng^aff1, Lian, Xiaoqiang^aff1, Zeng, Yue^aff1, Song, Chuanmin^aff3, Shen, Yunpeng^aff1, Yang, Shuoye^aff1

Πηγή: The Journal of Physical Chemistry B. 129(45):11816-11835

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05360

Physics-Informed Gaussian Process Inference of Liquid Structure from Scattering Data

Συγγραφείς: Sullivan, Harry Winston^aff1, Cervenka, Matej^aff2, Shanks, Brennon L.^aff2, Hoepfner, Michael P.^aff3

Πηγή: The Journal of Physical Chemistry B. 129(45):11802-11815

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05024

Exploring Tb3+-Mediated Interactions with Glutathione-Capped Gold Nanoclusters to Develop a Fluorophore-Modified Ratiometric Probe toward Lactoferrin

Συγγραφείς: Kuo, Chun-Hsin^aff1, Liu, Bo-Yu^aff1, Feng, Shin-Yi^aff2, Chiang, Cheng-Kang^aff2, Hsieh, Ming-Mu^aff3, Tseng, Wei-Lung^{aff1, aff4, aff5}

Πηγή: The Journal of Physical Chemistry B. 129(45):11851-11861

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c06319

Finding of Phase Transition of Ice XI to Ih in 20 wt % Bovine Serum Albumin Aqueous System and Assignment of Thermal and Dielectric Relaxation Processes in the Binary System

Συγγραφείς: Nagoe, Atsushi^aff1, Kusukawa, Hiroshi^aff2, Watanabe, Keisuke^aff3, Kawai, Kiyoshi^aff4

Πηγή: The Journal of Physical Chemistry B. 129(45):11836-11842

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05586

Thermophysical and Dynamics Perspective of Ions and Microstructures in Binary Salt K‑Ion Battery Electrolytes

Συγγραφείς: Nayak, Ritesh G., Mallik, Bhabani S.

Πηγή: The Journal of Physical Chemistry B. 129(45):11791-11801

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c03926

Controlling the Melting Temperatures and Ion Dynamics of Carboxy-Functionalized Ionic Liquids

Συγγραφείς: Khudozhitkov, Alexander E.^{aff1, aff5}, Hunger, Lasse^aff2, Al Sheakh, Loai^aff2, Stepanov, Alexander G.^aff5, Kolokolov, Daniil I.^{aff1, aff5}, Ludwig, Ralf^{aff2, aff3, aff4}

Πηγή: The Journal of Physical Chemistry B. 129(44):11557-11563

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05946

15N NMR Signal Amplification by Reversible Exchange of [15N3]Ornidazole Antibiotic

Συγγραφείς: Yi, Anna P.^{aff1, aff2}, Chukanov, Nikita V.^aff1, Kabir, Mohammad S. H.^aff3, Trepakova, Alexandra I.^aff1, Chekmenev, Eduard Y.^aff3, Salnikov, Oleg G.^aff1, Koptyug, Igor V.^aff1

Πηγή: The Journal of Physical Chemistry B. 129(44):11548-11556

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05057

Investigation of Li-Ion Hopping in Ionic-Liquid-Incorporated Methyl Cellulose/Carboxymethyl Cellulose Solid Polymer Electrolyte: A Molecular Simulation Insight

Συγγραφείς: Ishida, Kensuke^aff1, Sakti, Aditya Wibawa^{aff1, aff2}, Ndruru, Sun Theo Constan Lotebulo^aff3, Nakai, Hiromi^{aff1, aff4}

Πηγή: The Journal of Physical Chemistry B. 129(44):11522-11529

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c04146

Shear and Structural Relaxation in Superconcentrated Lithium Bis(trifluoromethanesulfonyl)amide Aqueous Solutions

Συγγραφείς: Seike, Yuta^aff1, Yasuda, Keiji^aff1, Yamaguchi, Tsuyoshi^aff1, Nagai, Tetsuro^aff2, Yoshida, Koji^aff2, Yamada, Takeshi^aff3

Πηγή: The Journal of Physical Chemistry B. 129(44):11541-11547

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c04968

Thermophysical Properties and Dynamics of Solvation Structures Formed in Fluorinated Lithium-Ion Electrolytes with Additives

Συγγραφείς: Nayak, Ritesh G., Mallik, Bhabani S.

Πηγή: The Journal of Physical Chemistry B. 129(44):11512-11521

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.jpcb.5c03613