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Extension-Dependent Drift Velocity and Diffusion (DrDiff) Directly Reconstructs the Folding Free Energy Landscape of Atomic Force Microscopy Experiments J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-17 Frederico Campos Freitas; Ronaldo Junio de Oliveira
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Multiband k·p Model for Tetragonal Crystals: Application to Hybrid Halide Perovskite Nanocrystals J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-17 R. Ben Aich; S. Ben Radhia; K. Boujdaria; M. Chamarro; C. Testelin
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Chemically Selective Imaging of Individual Bonds through Scanning Electron Energy-Loss Spectroscopy: Disulfide Bridges Linking Gold Nanoclusters J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-17 Karolina Sokołowska; Zhongyue Luan; Eero Hulkko; Christoph Rameshan; Noelia Barrabés; Vartkess A. Apkarian; Tanja Lahtinen
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Highly Accurate Prediction of Core Spectra of Molecules at Density Functional Theory Cost: Attaining Sub-electronvolt Error from a Restricted Open-Shell Kohn–Sham Approach J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-17 Diptarka Hait; Martin Head-Gordon
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Data-Driven Identification of the Reaction Network in Oxidative Coupling of the Methane Reaction via Experimental Data J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-17 Itsuki Miyazato; Shun Nishimura; Lauren Takahashi; Junya Ohyama; Keisuke Takahashi
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Effect of Molecular Orbital Angular Momentum on the Spatial Distribution of Fluorescence during Femtosecond Laser Filamentation in Air J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Qiang Su; Lu Sun; Chunyue Chu; Zhi Zhang; Nan Zhang; Lie Lin; Zhinan Zeng; Olga Kosareva; Weiwei Liu; See Leang Chin
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Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe2 J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Mingming Fu; Liangbo Liang; Qiang Zou; Giang D. Nguyen; Kai Xiao; An-Ping Li; Junyong Kang; Zhiming Wu; Zheng Gai
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Broad-Band Near-Infrared Doublet Emission in a Tetrathiafulvalene-Based Metal–Organic Framework J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Feifan Wang; Jue Wang; Sebastian F. Maehrlein; Yingzi Ma; Fang Liu; X.-Y. Zhu
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Coherent Random Lasing in Colloidal Quantum Dot-Doped Polymer-Dispersed Liquid Crystal with Low Threshold and High Stability J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Zhiwen Wang; Mingxuan Cao; Genrong Shao; Zhikun Zhang; Huiwen Yu; Yeqing Chen; Yating Zhang; Yang Li; Baiping Xu; Ying Wang; Jianquan Yao
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Diammonium-Cesium Lead Halide Perovskite with Phase-Segregated Interpenetrating Morphology for Photovoltaics J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Ziren Zhou; Shuang Yang; Kaixuan Xu; Hong Wei Qiao; Jin Xie; Zeqing Lin; Bing Ge; Jingjing He; Mengjiong Chen; Jun Zhang; Yu Hou; Hua Gui Yang
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Non-Born–Oppenheimer Molecular Dynamics Observed by Coherent Nuclear Wave Packets J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 JunWoo Kim; Chul Hoon Kim; Christian Burger; Myeongkee Park; Matthias F. Kling; Dong Eon Kim; Taiha Joo
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Visualizing the 30-Dimensional Antisymmetrized Electronic Structure of Water: The Emergence of Lone Pairs J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Yu Liu; Terry J. Frankcombe; Timothy W. Schmidt
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Electron Diffraction of Pyrene Nanoclusters Embedded in Superfluid Helium Droplets J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-16 Lei Lei; Yuzhong Yao; Jie Zhang; Dale Tronrud; Wei Kong; Chengzhu Zhang; Lan Xue; Léo Dontot; Mathias Rapacioli
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Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-15 Andrew H. Proppe; Grant W. Walters; Abdullah Y. Alsalloum; Ayan A. Zhumekenov; Edoardo Mosconi; Shana O. Kelley; Filippo De Angelis; Lyudmyla Adamska; Paolo Umari; Osman M. Bakr; Edward H. Sargent
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Chain Length Dependence of Hydrogen Bond Linkages between Cationic Constituents in Hydroxy-Functionalized Ionic Liquids: Tracking Bulk Behavior to the Molecular Level with Cold Cluster Ion Spectroscopy J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-14 Helen J. Zeng; Fabian S. Menges; Thomas Niemann; Anne Strate; Ralf Ludwig; Mark A. Johnson
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Eu3+ Sensitization via Nonradiative Interparticle Energy Transfer Using Inorganic Nanoparticles J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-14 Marie Anne van de Haar; Anne C. Berends; Michael R. Krames; Liudmyla Chepyga; Freddy T. Rabouw; Andries Meijerink
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Mechanism of Different Piezoresponsive Luminescence of 2,3,4,5-Tetraphenylthiophene and 2,3,4,5-Tetraphenylfuran: A Strategy for Designing Pressure-Induced Emission Enhancement Materials J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-13 Yarong Gu; Nan Li; Guicheng Shao; Kai Wang; Bo Zou
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Distinguishing the Structure of High-Pressure Hydrogen with Dielectric Constants J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-13 Da Chen; Ting Ting Cui; Wang Gao; Qing Jiang
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Observation of Four-Fold Boron–Metal Bonds in RhB(BO–) and RhB J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-13 Ling Fung Cheung; Teng-Teng Chen; G. Stephen Kocheril; Wei-Jia Chen; Joseph Czekner; Lai-Sheng Wang
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Formation of Hollow Gold Nanocrystals by Nanosecond Laser Irradiation J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-13 Guillermo González-Rubio; Thais Milagres de Oliveira; Wiebke Albrecht; Pablo Díaz-Núñez; Juan Carlos Castro-Palacio; Alejandro Prada; Rafael I. González; Leonardo Scarabelli; Luis Bañares; Antonio Rivera; Luis M. Liz-Marzán; Ovidio Peña-Rodríguez; Sara Bals; Andrés Guerrero-Martínez
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Water Structure, Dynamics, and Sum-Frequency Generation Spectra at Electrified Graphene Interfaces J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-10 Yiwei Zhang; Hilton B. de Aguiar; James T. Hynes; Damien Laage
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Origin of the Stability and Transition from Anionic to Cationic Surface Ligand Passivation of All-Inorganic Cesium Lead Halide Perovskite Nanocrystals J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-10 Dongsuk Yoo; Ju Young Woo; Youngsik Kim; Sun Won Kim; Su-Huai Wei; Sohee Jeong; Yong-Hyun Kim
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Superconducting Zirconium Polyhydrides at Moderate Pressures J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-10 Hui Xie; Wenting Zhang; Defang Duan; Xiaoli Huang; Yanping Huang; Hao Song; Xiaolei Feng; Yansun Yao; Chris J. Pickard; Tian Cui
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First-Order Phase Transition in Liquid Ag to the Heterogeneous G-Phase J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-10 Qi An; William L. Johnson; Konrad Samwer; Sydney L. Corona; William A. Goddard, III
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Core/Shell Nanocrystal Tailored Carrier Dynamics in Hysteresisless Perovskite Solar Cells with ∼20% Efficiency and Long Operational Stability J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-10 Anima Ghosh; Dhirendra K. Chaudhary; Arnab Mandal; Sayan Prodhan; Kamlesh Kumar Chauhan; Saket Vihari; Govind Gupta; Prasanta Kumar Datta; Sayan Bhattacharyya
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Nanowire Grid Polarization and Polarized Excitonic Emission Observed in Multilayer GaTe J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-09 Ching-Hwa Ho; Mei-Chan Chiou; Thalita Maysha Herninda
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Precharging Photon Upconversion: Interfacial Interactions in Solution-Processed Perovskite Upconversion Devices J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-09 Sarah Wieghold; Lea Nienhaus
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Green-Emitting Lead-Free Cs4SnBr6 Zero-Dimensional Perovskite Nanocrystals with Improved Air Stability J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-09 Rossella Chiara; Yasemin O. Ciftci; Valentin I. E. Queloz; Mohammad Khaja Nazeeruddin; Giulia Grancini; Lorenzo Malavasi
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Tensile Strain-Controlled Photogenerated Carrier Dynamics at the van der Waals Heterostructure Interface J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-08 Yunzhe Tian; Qijing Zheng; Jin Zhao
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Stability of Lead and Tin Halide Perovskites: The Link between Defects and Degradation J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-08 Luis Lanzetta; Nicholas Aristidou; Saif A. Haque
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Observation of Nonradiative Deactivation Behavior from Singlet and Triplet States of Thermally Activated Delayed Fluorescence Emitters in Solution J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-08 Naoto Notsuka; Hajime Nakanotani; Hiroki Noda; Kenichi Goushi; Chihaya Adachi
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Near-Edge X-ray Absorption Fine Structure Spectroscopy of Heteroatomic Core-Hole States as a Probe for Nearly Indistinguishable Chemical Environments J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-08 Daniel R. Nascimento; Yu Zhang; Uwe Bergmann; Niranjan Govind
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Visible-Transparent Luminescent Solar Concentrators Based on Carbon Nanodots in the Siloxane Matrix with Ultrahigh Quantum Yields and Optical Transparency at High-Loading Contents J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-08 Maria Jessabel Talite; Hsiu-Ying Huang; Kun-Bin Cai; King Chester Capinig Co; Phoa Adelina Cynthia Santoso; Sheng-Hsiung Chang; Wu-Ching Chou; Chi-Tsu Yuan
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Vibrational Relaxation Dynamics of a Semiconductor Copper(I) Thiocyanate (CuSCN) Film as a Hole-Transporting Layer J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Xiaoqian Li; Dexia Zhou; Hongxing Hao; Hailong Chen; Yuxiang Weng; Hongtao Bian
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Modulation of the Double-Helical Cores: A New Strategy for Structural Predictions of Thiolate-Protected Gold Nanoclusters J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Wen Wu Xu; Xiangmei Duan; Xiao Cheng Zeng
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Optically Pumped Monolayer MoSe2 Excitonic Lasers from Whispering Gallery Mode Microcavities J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Xinpeng Fu; Xihong Fu; Yongyi Chen; Li Qin; Hangyu Peng; Ruixin Shi; Fangfei Li; Qiang Zhou; Yubing Wang; Yinli Zhou; Yongqiang Ning
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Regulating Ion Transport in a Nanochannel with Tandem and Parallel Structures via Concentration Polarization J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Zeng-Qiang Wu; Zhong-Qiu Li; Yang Wang; Xing-Hua Xia
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In Situ Observation of Emission Behavior during Anion-Exchange Reaction of a Cesium Lead Halide Perovskite Nanocrystal at the Single-Nanocrystal Level J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Hiroyuki Yoshimura; Mitsuaki Yamauchi; Sadahiro Masuo
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Organizing Crystalline Functionalized Pentacene Using Periodicity of Poly(Vinyl Alcohol) J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Rohan J. Hudson; Jessica M. de la Perrelle; Ryan D. Pensack; Bryan Kudisch; Gregory D. Scholes; David M. Huang; Tak W. Kee
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Ion Vacancies and Transport in 1-Methylimidazolium Triflate Organic Ionic Plastic Crystal J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-07 Haijin Zhu; Maria Forsyth
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Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-06 Chie Shibazaki; Rumi Shimizu; Yuji Kagotani; Andreas Ostermann; Tobias E. Schrader; Motoyasu Adachi
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Two-Dimensional Ferroelastic Semiconductors in Nb2SiTe4 and Nb2GeTe4 with Promising Electronic Properties J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-06 Ting Zhang; Yandong Ma; Xilong Xu; Chengan Lei; Baibiao Huang; Ying Dai
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Adhesion of Single-Walled Carbon Nanotube Thin Films with Different Materials J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-06 Pramod M. Rajanna; Sergey Luchkin; Konstantin V. Larionov; Artem Grebenko; Zakhar I. Popov; Pavel B. Sorokin; Mati Danilson; Sergei Bereznev; Peter D. Lund; Albert G. Nasibulin
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Glide Mirror Plane Protected Nodal-Loop in an Anisotropic Half-Metallic MnNF Monolayer J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-06 Yang Hu; Sheng-Shi Li; Wei-Xiao Ji; Chang-Wen Zhang; Meng Ding; Pei-Ji Wang; Shi-Shen Yan
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Covalent Functionalized Black Phosphorus Greatly Inhibits Nonradiative Charge Recombination: A Time Domain Ab Initio Study J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-06 Yaqing Wei; Wei-Hai Fang; Run Long
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A Strong Test of Atomically Detailed Models of Molecular Adsorption in Zeolites Using Multilaboratory Experimental Data for CO2 Adsorption in Ammonium ZSM-5 J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-03 Hanjun Fang; John Findley; Giovanni Muraro; Peter I. Ravikovitch; David S. Sholl
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Interfacial Mechanism for Efficient Resistive Switching in Ruddlesden–Popper Perovskites for Non-volatile Memories J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-03 Ankur Solanki; Antonio Guerrero; Qiannan Zhang; Juan Bisquert; Tze Chien Sum
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Diffusion Selective Pulses J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-03 Zhaoyuan Gong; Jamie D. Walls
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Universality, Scaling, and Collapse in Supercritical Fluids J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-02 Min Young Ha; Tae Jun Yoon; Tsvi Tlusty; YongSeok Jho; Won Bo Lee
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Descriptors for Electron and Hole Charge Carriers in Metal Oxides J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-02 Daniel W. Davies; Christopher N. Savory; Jarvist M. Frost; David O. Scanlon; Benjamin J. Morgan; Aron Walsh
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Monitoring Charge Carrier Diffusion across a Perovskite Film with Transient Absorption Spectroscopy J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2020-01-02 Hannu P. Pasanen; Paola Vivo; Laura Canil; Hannes Hempel; Thomas Unold; Antonio Abate; Nikolai V. Tkachenko
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High-Performance X-ray Detection Based on One-Dimensional Inorganic Halide Perovskite CsPbI3 J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-31 Bin-Bin Zhang; Xin Liu; Bao Xiao; Ahmed Ben Hafsia; Kaige Gao; Yadong Xu; Jian Zhou; Yanbin Chen
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Short-Range Disorder in TeO2 Melt and Glass J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 O. L. G. Alderman; C. J. Benmore; S. Feller; E. I. Kamitsos; E. D. Simandiras; D. G. Liakos; M. Jesuit; M. Boyd; M. Packard; R. Weber
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Unraveling the Kinetics of Photocatalytic Water Oxidation on WO3 J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 Deng Li; Ruotian Chen; Shengyang Wang; Xianwen Zhang; Yang Zhang; Junxue Liu; Hang Yin; Fengtao Fan; Jingying Shi; Can Li
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Implementation of Geometry-Dependent Charge Flux into the Polarizable AMOEBA+ Potential J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 Chengwen Liu; Jean-Philip Piquemal; Pengyu Ren
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High-Resolution Photoelectron Spectroscopy of Cryogenically Cooled NO3̅ J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 Mark C. Babin; Jessalyn A. DeVine; Martin DeWitt; John F. Stanton; Daniel M. Neumark
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Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 Kristof M. Bal; Annemie Bogaerts; Erik C. Neyts
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Effects of Plasmon Modes on Resonant Raman Images of a Single Molecule J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-30 Sai Duan; Zhen Xie; Guangjun Tian; Yi Luo
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Exciton, Biexciton, and Hot Exciton Dynamics in CsPbBr3 Colloidal Nanoplatelets J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-27 Brener R. C. Vale; Etienne Socie; Andrés Burgos-Caminal; Jefferson Bettini; Marco A. Schiavon; Jacques-E. Moser
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Novel Superstructure-Phase Two-Dimensional Material 1T-VSe2 at High Pressure J. Phys. Chem. Lett. (IF 7.329) Pub Date : 2019-12-27 Raimundas Sereika; Changyong Park; Curtis Kenney-Benson; Sateesh Bandaru; Niall J. English; Qiangwei Yin; Hechang Lei; Ning Chen; Cheng-Jun Sun; Steve M. Heald; Jichang Ren; Jun Chang; Yang Ding; Ho-kwang Mao
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