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Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 J. Matthias Kahk, Georg S. Michelitsch, Reinhard J. Maurer, Karsten Reuter, Johannes Lischner
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Solving Quantum-Dot Excitonic Riddles with Absolute Pump–Probe Spectroscopy J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Sanford Ruhman
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Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-22 Tong Jiang, Jiajun Ren, Zhigang Shuai
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Photophysical Properties of Mn-Doped InP/ZnS Nanocrystals J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-22 Huan Liu, Ganlin Shang, Can Ren, Yang Gao, Tingchao He
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Correlation between Slanted Magnetic Structure and Electromagnetic Responses in the RAlGe (R = Tb and Er) System J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-22 Cong Wang, Yongquan Guo, Tai Wang
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First-Principles Calculations of the Diffusivity of Interstitial Helium in Alpha-U Considering Anisotropy, Isotope Effects, and Quantum Effects J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Jae-Hyuk Kim, Jae-Uk Lee, Min Ho Chang, Takuji Oda
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Cation and Anion Transfer in Quinuclidinium Hexafluorophosphate Plastic Crystal: Role of Constituent Ions and the Crystalline Structure J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Xue Lan, Xin Wang, Dong Xue Zhang, Tiancheng Mu, Xiao Zheng Lan
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Understanding Lithium-Mediated Oxygen Reactions at the Au|DMSO interface: Are We There? J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Jinwen Liu, Jun Huang, Zhangquan Peng, Chuntai Liu
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Plasmon-Enhanced Fluorescence Near Single Gold Nanoplates Studied by Scanning Near-Field Two-Photon Excitation Microscopy J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Seiju Hasegawa, Keisuke Imaeda, Kohei Imura
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Local Wear of Catechol-Containing Diblock Copolymer Layers: Wear Volume, Stick–Slip, and Nanomechanical Changes J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Illia Dobryden, Medeina Steponavičiu̅tė, Daniel Hedman, Vaidas Klimkevičius, Ričardas Makuška, Andra Dėdinaitė, Xiaoyan Liu, Robert W. Corkery, Per Martin Claesson
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Quinone-Based Conducting Three-Dimensional Metal–Organic Framework as a Cathode Material for Lithium-Ion Batteries J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Huanhuan Dong, Hongge Gao, Jiarun Geng, Xuesen Hou, Suning Gao, Shiwen Wang, Shulei Chou
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Thermally Driven Transformation of Water Clustering Structures at Self-Assembled Monolayers Langmuir (IF 3.882) Pub Date : 2021-09-22 Yang Liu, Xing-Hua Xia
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Molecular Mechanistic Insights into the Ionic-Strength-Controlled Interfacial Behavior of Proteins on a TiO2 Surface Langmuir (IF 3.882) Pub Date : 2021-09-22 Yihui Dong, Aatto Laaksonen, Qingwei Gao, Xiaoyan Ji
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Donor–Acceptor Pairs in Covalent Organic Frameworks Promoting Electron Transfer for Metal-Free Photocatalytic Organic Synthesis Langmuir (IF 3.882) Pub Date : 2021-09-22 Wenjing Qiu, Yajun He, Liuyi Li, Zheyuan Liu, Shenghong Zhong, Yan Yu
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Dynamical calculations of O(3P) + OH(2Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-22 Sandip Ghosh, Rahul Sharma, Satrajit Adhikari, António J. C. Varandas
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High-performance lithium–sulfur batteries enabled by regulating Li2S deposition Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-22 Qiaowei Lin, Ling Huang, Wenhua Liu, Zejian Li, Ruopian Fang, Da-Wei Wang, Quan-Hong Yang, Wei Lv
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Screening of transition metal doped copper clusters for CO2 activation Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-22 Máté Szalay, Dániel Buzsáki, Júlia Barabás, Endre Faragó, Ewald Janssens, László Nyulászi, Tibor Höltzl
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Understanding the molecular mechanisms of transcriptional bursting Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-16 Alena Klindziuk, Anatoly B. Kolomeisky
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Proton in the ring: spectroscopy and dynamics of proton bonding in macrocycle cavities Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-15 Francisco Gámez, Juan R. Avilés-Moreno, Giel Berden, Jos Oomens, Bruno Martínez-Haya
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Solvate electrolytes for Li and Na batteries: structures, transport properties, and electrochemistry Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-15 Yosuke Ugata, Keisuke Shigenobu, Ryoichi Tatara, Kazuhide Ueno, Masayoshi Watanabe, Kaoru Dokko
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A nanosecond-resolved atomic hydrogen magnetometer Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-15 Alexandros K. Spiliotis, Michalis Xygkis, Konstantinos Tazes, George E. Katsoprinakis, Dimitrios Sofikitis, Georgios Vasilakis, T. Peter Rakitzis
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Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulations Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-13 Jorge Nochebuena, Liliana Quintanar, Alberto Vela, G. Andrés Cisneros
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Tailoring long-range superlattice chirality in molecular self-assemblies via weak fluorine-mediated interactions Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-07 Mykola Telychko, Lulu Wang, Chia-Hsiu Hsu, Guangwu Li, Xinnan Peng, Shaotang Song, Jie Su, Feng-Chuan Chuang, Jishan Wu, Ming Wah Wong, Jiong Lu
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Enhanced resistive switching performance in yttrium-doped CH3NH3PbI3 perovskite devices Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-04 Feifei Luo, Liuxia Ruan, Junwei Tong, Yanzhao Wu, Caixiang Sun, Gaowu Qin, Fubo Tian, Xianmin Zhang
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Revealing the effects of molecular orientations on the azo-coupling reaction of nitro compounds driven by surface plasmonic resonances Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-03 Ying-Jen Shiu, Michitoshi Hayashi, Ying-Huang Lai, U-Ser Jeng
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Behavior of implanted Xe, Kr and Ar in nanodiamonds and thin graphene stacks: experiment and modeling Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-02 Andrey A. Shiryaev, Alexander L. Trigub, Ekaterina N. Voronina, Kristina O. Kvashnina, Valentin L. Bukhovets
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Evolution of transition metal charge states in correlation with the structural and magnetic properties in disordered double perovskites Ca2−xLaxFeRuO6 (0.5 ≤ x ≤ 2) Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-01 Kumari Naveen, Tanmay Rom, Shams Sohel Islam, Manfred Reehuis, Peter Adler, Claudia Felser, Andreas Hoser, Ramesh Chandra Nath, Ashok Kumar Yadav, Shambhu Nath Jha, Dibyendu Bhattacharyya, Marcus Schmidt, Avijit Kumar Paul
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Local energy decomposition analysis and molecular properties of encapsulated methane in fullerene (CH4@C60) Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-09-01 Aleksander Jaworski, Niklas Hedin
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Role of a nanoparticle network in polymer mechanical reinforcement: insights from molecular dynamics simulations Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-08-28 Xiu Li, Ziwei Li, Jianxiang Shen, Zijian Zheng, Jun Liu
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Crystal structures and superconductivity of lithium and fluorine implanted gold hydrides under high pressures Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-08-27 Shoutao Zhang, Qiuping Yang, Xiaohua Zhang, Kaixuan Zhao, Hong Yu, Li Zhu, Hanyu Liu
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Enhanced solid-state plasmon catalyzed oxidation and SERS signal in the presence of transition metal cations at the surface of gold nanostructures Phys. Chem. Chem. Phys. (IF 3.676) Pub Date : 2021-08-26 Srimanta Pal, Sujay Paul, Arun Chattopadhyay
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Nonlinear Dynamics in a Synthetic Momentum-State Lattice Phys. Rev. Lett. (IF 9.161) Pub Date : 2021-09-22 Fangzhao Alex An, Bhuvanesh Sundar, Junpeng Hou, Xi-Wang Luo, Eric J. Meier, Chuanwei Zhang, Kaden R. A. Hazzard, Bryce Gadway
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Demonstration of a High-FidelitycnotGate for Fixed-Frequency Transmons with EngineeredZZSuppression Phys. Rev. Lett. (IF 9.161) Pub Date : 2021-09-22 A. Kandala, K. X. Wei, S. Srinivasan, E. Magesan, S. Carnevale, G. A. Keefe, D. Klaus, O. Dial, D. C. McKay
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Exterior Dissipation, Proportional Decay, and Integrals of Motion Phys. Rev. Lett. (IF 9.161) Pub Date : 2021-09-22 M. Aureli, J. A. Hanna
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Continuous Pathway between the Elasto-Inertial and Elastic Turbulent States in Viscoelastic Channel Flow Phys. Rev. Lett. (IF 9.161) Pub Date : 2021-09-22 Mohammad Khalid, V. Shankar, Ganesh Subramanian
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Photoinduced Dynamic Defects Responsible for the Giant, Reversible, and Bidirectional Light-Soaking Effect in Perovskite Solar Cells J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-21 Jing Wang, Xiangmei Duan, Wan-Jian Yin
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Liquid Alloying Na–K for Sodium Metal Anodes J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-20 Cheng Liu, Hongyi Chen, Wentao Deng, Jun Chen, Ye Tian, Xu Gao, Xinglan Deng, Shouyi Yi, Shuo Li, Libao Chen, Anqiang Pan, Jianmin Ma, Hongsuai Hou, Guoqiang Zou, Debbie S. Silvester, Xiaobo Ji
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Excitons in CsPbBr3 Halide Perovskite J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-20 J. A. Peters, Z. Liu, O. Bulgin, Y. He, V. V. Klepov, M. C. De Siena, M. G. Kanatzidis, B. W. Wessels
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Longitudinal Spin Order Labeling on Multiple Quantum Coherences Enables NMR Analysis of Intrinsically Disordered Proteins at Ultrahigh Resolution J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-20 Jonghyuk Im, Kyungryun Lee, Sohyun Jung, Eunhee Kim, Jung Ho Lee
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A Multiple Excited-State Engineering of Boron-Functionalized Diazapentacene Via a Tuning of the Molecular Orbital Coupling J. Phys. Chem. Lett. (IF 6.475) Pub Date : 2021-09-20 Zi Yang, Kai Yang, Xiaofan Wei, Weimin Liu, Rong Gao, Frieder Jäkle, Yueh-Lin Loo, Yi Ren
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Unraveling the Photophysics of Liquid-Phase Exfoliated Two-Dimensional ReS2 Nanoflakes J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Pieter Schiettecatte, Deepika Poonia, Ivo Tanghe, Sourav Maiti, Michele Failla, Sachin Kinge, Zeger Hens, Laurens D. A. Siebbeles, Pieter Geiregat
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Promising Lead-Free Double-Perovskite Photovoltaic Materials Cs2MM′Br6 (M = Cu, Ag, and Au; M′ = Ga, In, Sb, and Bi) with an Ideal Band Gap and High Power Conversion Efficiency J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Kai-qi Wang, Yong He, Min Zhang, Jun-jie Shi, Wen-wen Cai
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Tailoring Porous Transition Metal Oxide for High-Performance Lithium Storage J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Baoyu Sun, Wei Zheng, Xucai Yin, Xin Chen, Fanpeng Kong, Shuaifeng Lou, Chunyu Du, Pengjian Zuo, Jingying Xie, Jiajun Wang, Geping Yin
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Adsorption of Phosphate Ions on the Basal and Edge Surfaces of Kaolinite in Low Salt Aqueous Solutions Using Molecular Dynamics Simulations J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Karien I. García, Gonzalo R. Quezada, José L. Arumí, Roberto Urrutia, Pedro G. Toledo
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Exploring the Emission Pathways in Nitrogen-Doped Graphene Quantum Dots for Bioimaging J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 I. Jénnifer Gómez, Manuel Vázquez Sulleiro, Anna Dolečková, Naděžda Pizúrová, Jiřina Medalová, Rajarshi Roy, David Nečas, Lenka Zajíčková
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Electronic Conductivity of Nanoporous Indium Oxide Derived from Sequential Infiltration Synthesis J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Aaron D. Taggart, Nari Jeon, Vepa Rozyyev, Evguenia Karapetrova, Nestor J. Zaluzec, Ruben Z. Waldman, Seth B. Darling, Jeffrey W. Elam, Alex B. F. Martinson
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Hybrid Phase MoS2 as a Noble Metal-Free Photocatalyst for Conversion of Nitroaromatics to Aminoaromatics J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Yuxiao Zhang, Yasutaka Kuwahara, Kohsuke Mori, Xufang Qian, Yixin Zhao, Hiromi Yamashita
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High Catalytic Activities of RENi5–xAlx (RE = La, Er) and Low Activity of Mg2Ni Following Hydrogen Uptake: The Role of Absorbed Hydrogen J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-21 Ryota Tsukuda, Takayuki Kojima, Ya Xu, Chikashi Nishimura, Marian Krajčí, Satoshi Kameoka
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Vapor-Induced Superionic Conduction of Magnesium Ions in a Metal–Organic Framework J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-20 Yuto Yoshida, Kenichi Kato, Masaaki Sadakiyo
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Formation of Near-IR Excitons in Low-Dimensional CuSbS2 J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-20 Kevin M. Conley, Caterina Cocchi, Tapio Ala-Nissila
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Spectral Response of Interfacial Water at Different Lipid Monolayer Interfaces upon Interaction with Charged Gold Nanoparticles J. Phys. Chem. C (IF 4.126) Pub Date : 2021-09-20 Preeti Gahtori, Srinivasa Rao Varanasi, Ravindra Pandey
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Fullerenes Enhance Self-Assembly and Electron Injection of Photosystem I in Biophotovoltaic Devices Langmuir (IF 3.882) Pub Date : 2021-09-21 Nahid Torabi, Xinkai Qiu, Manuel López-Ortiz, Mark Loznik, Andreas Herrmann, Ahmad Kermanpur, Ali Ashrafi, Ryan C. Chiechi
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Regulation of a Porphyrin Derivative Containing Two Symmetric Benzoic Acids by Different Pyridines Langmuir (IF 3.882) Pub Date : 2021-09-21 Lin Ma, Peng Wang, Wubiao Duan, Bin Tu, Qingdao Zeng
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Bicomponent Coassembled Hydrogel as a Template for Selective Enzymatic Generation of DOPA Langmuir (IF 3.882) Pub Date : 2021-09-09 Sagar Biswas, Tapas Ghosh, Deepak K. K. Kori, Apurba K. Das
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Wetting of Dehydrated Hydrophilic Pseudomonas fluorescens Biofilms under the Action of External Body Forces Langmuir (IF 3.882) Pub Date : 2021-07-27 Michela Castigliano, Federica Recupido, Maria Petala, Margaritis Kostoglou, Sergio Caserta, Thodoris D. Karapantsios
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Electroactive Nanogel Formation by Reactive Layer-by-Layer Assembly of Polyester and Branched Polyethylenimine via Aza-Michael Addition Langmuir (IF 3.882) Pub Date : 2021-09-03 Oyku Yildirimkaraman, Sezer Özenler, Ufuk Saim Gunay, Hakan Durmaz, Ümit Hakan Yıldız
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Are Contact Angle Measurements Useful for Oxide-Coated Liquid Metals? Langmuir (IF 3.882) Pub Date : 2021-09-07 Ishan D. Joshipura, K. Alex Persson, Vi Khanh Truong, Ji-Hyun Oh, Minsik Kong, Man Hou Vong, Chujun Ni, Mohanad Alsafatwi, Dishit P. Parekh, Hong Zhao, Michael D. Dickey
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Adsorption Affinity of Linear and Aromatic Organic Anions Competing for Cationic Cement Surfaces Langmuir (IF 3.882) Pub Date : 2021-09-03 Elizabeth Q. Contreras, Baireddy R. Reddy
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Interaction of DNA-Complexed Boron Nitride Nanotubes and Cosolvents Impacts Dispersion and Length Characteristics Langmuir (IF 3.882) Pub Date : 2021-09-08 Venkateswara R. Kode, Kevin R. Hinkle, Geyou Ao
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Structure and Contact Angle in Sessile Droplets of Binary Mixtures of Lennard-Jones Chains: A Molecular Dynamics Study Langmuir (IF 3.882) Pub Date : 2021-09-03 Eder L. Granados-Bazán, Sergio E. Quiñones-Cisneros, Ulrich K. Deiters
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