Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung Constants (Unknown)
- New search for: Tavernier, Nicolas
- New search for: Bendazzoli, Gian Luigi
- New search for: Brumas, Véronique
- New search for: Evangelisti, Stefano
- Further information on Evangelisti, Stefano:
- https://orcid.org/0000-0001-8782-443X
- New search for: Berger, J. A.
- Further information on Berger, J. A.:
- https://orcid.org/0000-0002-4823-520X
- New search for: Tavernier, Nicolas
- New search for: Bendazzoli, Gian Luigi
- New search for: Brumas, Véronique
- New search for: Evangelisti, Stefano
- Further information on Evangelisti, Stefano:
- https://orcid.org/0000-0001-8782-443X
- New search for: Berger, J. A.
- Further information on Berger, J. A.:
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In:
The Journal of Physical Chemistry Letters
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11
, 17
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7090-7095
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2020
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung Constants
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Additional title:J. Phys. Chem. Lett.
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Contributors:Tavernier, Nicolas ( author ) / Bendazzoli, Gian Luigi ( author ) / Brumas, Véronique ( author ) / Evangelisti, Stefano ( author ) / Berger, J. A. ( author )
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Published in:The Journal of Physical Chemistry Letters ; 11, 17 ; 7090-7095
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Publisher:
- New search for: American Chemical Society
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Publication date:2020-09-03
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 11, Issue 17
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 6935
-
Controlling Structure and Properties of Vapor-Deposited Glasses of Organic Semiconductors: Recent Advances and ChallengesBagchi, Kushal / Ediger, M. D. et al. | 2020
- 6946
-
On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic SimulationsJinnouchi, Ryosuke / Miwa, Kazutoshi / Karsai, Ferenc / Kresse, Georg / Asahi, Ryoji et al. | 2020
- 6956
-
Carrier Transport Limited by Trap State in Cs2AgBiBr6 Double PerovskitesYin, Yanfeng / Tian, Wenming / Leng, Jing / Bian, Jiming / Jin, Shengye et al. | 2020
- 6964
-
Controlling the Quantum Spin Hall Edge States in Two-Dimensional Transition Metal DichalcogenidesPulkin, Artem / Yazyev, Oleg V. et al. | 2020
- 6970
-
Transport Mechanisms Underlying Ionic Conductivity in Nanoparticle-Based Single-Ion ElectrolytesKadulkar, Sanket / Milliron, Delia J. / Truskett, Thomas M. / Ganesan, Venkat et al. | 2020
- 6976
-
Demystifying the Atomistic Origin of the Electric Field Effect on Methane OxidationPanaritis, Christopher / Hajar, Yasmine M. / Treps, Laureline / Michel, Carine / Baranova, Elena A. / Steinmann, Stephan N. et al. | 2020
- 6982
-
Intramolecular Band Alignment and Spin–Orbit Coupling in Two-Dimensional Halide PerovskitesZhang, Linghai / Zhang, Xu / Lu, Gang et al. | 2020
- 6990
-
Quantum Device Emulates the Dynamics of Two Coupled OscillatorsKomarova, Ksenia / Gattuso, Hugo / Levine, R. D. / Remacle, F. et al. | 2020
- 6996
-
Doping Induced Orbit–Orbit Interaction between Excitons While Enhancing Photovoltaic Performance in Tin Perovskite Solar CellsZhang, Jia / Qin, Jiajun / Wu, Ting / Hu, Bin et al. | 2020
- 7002
-
Terahertz Wave Accelerates DNA Unwinding: A Molecular Dynamics Simulation StudyWu, Kaijie / Qi, Chonghai / Zhu, Zhi / Wang, Chunlei / Song, Bo / Chang, Chao et al. | 2020
- 7009
-
Whispering-Gallery Mode Lasing in Perovskite Nanocrystals Chemically Bound to Silicon Dioxide MicrospheresPrice, Michael B. / Lewellen, Keiran / Hardy, Jake / Lockwood, Stephanie M. / Zemke-Smith, Chase / Wagner, Isabella / Gao, Meiqi / Grand, Johan / Chen, Kai / Hodgkiss, Justin M. et al. | 2020
- 7015
-
Hydrogen-Enhanced Vacancy Diffusion in MetalsDu, Jun-Ping / Geng, W. T. / Arakawa, Kazuto / Li, Ju / Ogata, Shigenobu et al. | 2020
- 7021
-
Dynamic Asymmetry Exposes 2019-nCoV Prefusion SpikeRoy, Susmita / Jaiswar, Akhilesh / Sarkar, Raju et al. | 2020
- 7028
-
Unraveling the Promotion Effects of a Soluble Cobaltocene Catalyst with Respect to Li–O2 Battery DischargeQian, Zhengyi / Li, Xudong / Sun, Baoyu / Du, Lei / Wang, Yang / Zuo, Pengjian / Yin, Geping / Zhang, Jinqiang / Sun, Bing / Wang, Guoxiu et al. | 2020
- 7035
-
Photoinduced Phase Segregation Leading to Evident Open-Circuit Voltage Loss in Efficient Inorganic CsPbIBr2 Solar CellsYin, Xingtian / Guo, Yuxiao / Liu, Jie / Que, Wenxiu / Ma, Fei / Xu, Kewei et al. | 2020
- 7042
-
Electrochemically Induced pH Change: Time-Resolved Confocal Fluorescence Microscopy Measurements and Comparison with Numerical ModelPande, Nakul / Chandrasekar, Shri K. / Lohse, Detlef / Mul, Guido / Wood, Jeffery A. / Mei, Bastian T. / Krug, Dominik et al. | 2020
- 7049
-
Hydrogen in NanocatalysisFung, Victor / Hu, Guoxiang / Wu, Zili / Jiang, De-en et al. | 2020
- 7058
-
Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking StudiesBatra, Rohit / Chan, Henry / Kamath, Ganesh / Ramprasad, Rampi / Cherukara, Mathew J. / Sankaranarayanan, Subramanian K.R.S. et al. | 2020
- 7066
-
Photoinduced Dynamics of Charge Carriers in Metal Halide Perovskites from an Atomistic PerspectiveQiao, Lu / Fang, Wei-Hai / Long, Run / Prezhdo, Oleg V. et al. | 2020
- 7083
-
Real-Time Microscale Temperature Imaging by Stimulated Raman ScatteringFigueroa, Benjamin / Hu, Ruoqian / Rayner, Samuel G. / Zheng, Ying / Fu, Dan et al. | 2020
- 7090
-
Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung ConstantsTavernier, Nicolas / Bendazzoli, Gian Luigi / Brumas, Véronique / Evangelisti, Stefano / Berger, J. A. et al. | 2020
- 7096
-
Plane-Selective Coating of Li2SnO3 on Li[Ni x Co1–x ]O2 for High Power Li ion BatteriesKim, Hanseul / Choi, Garam / Kim, Seongmin / Lee, Donghoon / Doo, Sung Wook / Park, Jungwon / Lee, Won Bo / Lee, Kyu Tae et al. | 2020
- 7103
-
Cryogenic Ion Spectroscopy of a Singly Protonated Peptide DYYVVR: Locating Phosphorylation Sites of a Kinase DomainKwon, Jang Han / Lee, Min Ji / Song, Gyeongok / Tsuruta, Kazuya / Ishiuchi, Shun-ichi / Fujii, Masaaki / Kang, Hyuk et al. | 2020
- 7109
-
Excited State Molecular Dynamics of Photoinduced Proton-Coupled Electron Transfer in Anthracene–Phenol–Pyridine TriadsSayfutyarova, Elvira R. / Hammes-Schiffer, Sharon et al. | 2020
- 7116
-
Potential-Induced Adsorption and Structuring of Water at the Pt(111) Electrode Surface in Contact with an Ionic LiquidKemna, Andre / Braunschweig, Björn et al. | 2020
- 7122
-
Surprising Lateral Interactions between Negatively Charged Adatoms on Metal SurfacesPoberžnik, Matic / Kokalj, Anton et al. | 2020
- 7127
-
Understanding the Stability of MAPbBr3 versus MAPbI3: Suppression of Methylammonium Migration and Reduction of Halide MigrationMcGovern, Lucie / Futscher, Moritz H. / Muscarella, Loreta A. / Ehrler, Bruno et al. | 2020
- 7133
-
Brightly Luminescent CsPbBr3 Nanocrystals through UltracentrifugationForde, Aaron / Fagan, Jeffrey A. / Schaller, Richard D. / Thomas, Salim A. / Brown, Samuel L. / Kurtti, Matthew B. / Petersen, Reed J. / Kilin, Dmitri S. / Hobbie, Erik K. et al. | 2020
- 7141
-
Key Role of the Surface Band Structure in Spin-Dependent Interfacial Electron Transfer: Ar/Fe(110) and Ar/Co(0001)Müller, Moritz / Echenique, Pedro Miguel / Sánchez-Portal, Daniel et al. | 2020
- 7146
-
Terahertz Signatures of Hydrate Formation in Alkali Halide SolutionsChen, Ligang / Ren, Guanhua / Liu, Liyuan / Guo, Pan / Wang, Endong / Zhou, Lu / Zhu, Zhongjie / Zhang, Jianbing / Yang, Bin / Zhang, Wentao et al. | 2020
- 7153
-
Atomic Scale Three-Dimensional Au Nanocluster on a Rutile TiO2 (110) Surface Resolved by Atomic Force MicroscopyAdachi, Yuuki / Sugawara, Yasuhiro / Li, Yan Jun et al. | 2020
- 7159
-
Quantitative Insights into the Effects of Post-Cross-Linking on Physical Performance Improvement and Surface-Cracking Healing of a HydrogelQiu, Xiaxin / Miao, Yan / Zhang, Lidong et al. | 2020
- 7167
-
Probing Nonuniform Adsorption in Multicomponent Metal–Organic Frameworks via Segmental Dynamics by Solid-State Nuclear Magnetic ResonanceGuan, Hanxi / Li, Jiachen / Zhou, Tianyou / Pang, Zhenfeng / Fu, Yao / Cornelio, Joel / Wang, Qi / Telfer, Shane G. / Kong, Xueqian et al. | 2020
- 7177
-
Quasiparticles and Band Structures in Organized Nanostructures of Donor–Acceptor CopolymersWeng, Guorong / Vlček, Vojtěch et al. | 2020
- 7184
-
High-Resolution X‑ray Photoelectron Spectroscopy of an IrO2(110) Film on Ir(100)Martin, R. / Kim, M. / Lee, C. J. / Mehar, V. / Albertin, S. / Hejral, U. / Merte, L. R. / Lundgren, E. / Asthagiri, A. / Weaver, J. F. et al. | 2020
- 7190
-
Bilayer-Coated Nanoparticles Reveal How Influenza Viral Entry Depends on Membrane Deformability but Not CurvatureVillamil Giraldo, Ana M. / Kasson, Peter M. et al. | 2020
- 7197
-
Variable Membrane Dielectric Polarization Characteristic in Individual Live CellsPark, Insu / Lim, Jong Won / Kim, Sung Hoon / Choi, Seungyeop / Ko, Kwan Hwi / Son, Myung Gu / Chang, Woo-Jin / Yoon, Young Ro / Yang, Sejung / Key, Jaehong et al. | 2020
- 7204
-
Steady-State Analysis of Light-Harvesting Energy Transfer Driven by Incoherent Light: From Dimers to NetworksYang, Pei-Yun / Cao, Jianshu et al. | 2020
- 7212
-
Spectroscopy of Resonant Intermediate States for Triplet–Triplet Annihilation Upconversion in Crystalline Rubrene: Radical Ions as SensitizersBeimborn, J. Curtis / Zagorec-Marks, Wyatt / Weber, J. Mathias et al. | 2020
- 7218
-
Surface-Enhanced Raman Scattering Detection of Nucleic Acids Exhibiting Sterically Accessible Guanines Using Ruthenium-Polypyridyl ReagentsMartínez-Calvo, Miguel / Guerrini, Luca / Rodríguez, Jéssica / Álvarez-Puebla, Ramón A. / Mascareñas, José L. et al. | 2020
- 7224
-
Long and Ultrastable All-Inorganic Single-Crystal CsPbBr3Microwires: One-Step Solution In-Plane Self-Assembly at Low Temperature and Application for High-Performance PhotodetectorsYang, Yuqing / Gao, Fangliang / Liu, Qing / Dong, Jianqi / Li, Dongyang / Luo, Xingjun / Guo, Jiaqi / Shi, Jiang / Lin, Yinlei / Song, Weidong et al. | 2020
- 7232
-
Causal Inference Machine Learning Leads Original Experimental Discovery in CdSe/CdS Core/Shell NanoparticlesLiu, Rulin / Hao, Junjie / Li, Jiagen / Wang, Shujie / Liu, Haochen / Zhou, Ziming / Delville, Marie-Hélène / Cheng, Jiaji / Wang, Kai / Zhu, Xi et al. | 2020
- 7239
-
Thiol-Anchored TIPS-Tetracene Ligands with Quantitative Triplet Energy Transfer to PbS Quantum Dots and Improved Thermal StabilityGray, Victor / Zhang, Zhilong / Dowland, Simon / Allardice, Jesse R. / Alvertis, Antonios M. / Xiao, James / Greenham, Neil C. / Anthony, John E. / Rao, Akshay et al. | 2020
- 7245
-
Compact Bases for Vibronic Coupling in Spectral Simulations: The Photoelectron Spectrum of Cyclopentoxide in the Full 39 Internal ModesShen, Yifan / Yarkony, David R. et al. | 2020
- 7253
-
Effect of Lattice Strain on the Formation of Ruddlesden–Popper Faults in Heteroepitaxial LaNiO3 for Oxygen Evolution ElectrocatalysisBak, Jumi / Bae, Hyung Bin / Oh, Chadol / Son, Junwoo / Chung, Sung-Yoon et al. | 2020
- 7261
-
Highly Selective Electrocatalytic Reduction of CO2 into Methane on Cu–Bi NanoalloysWang, Zhijiang / Yuan, Qi / Shan, Jingjing / Jiang, Zhaohua / Xu, Ping / Hu, Yongfeng / Zhou, Jigang / Wu, Lina / Niu, Zhuangzhuang / Sun, Jianmin et al. | 2020
- 7267
-
Repurposing Low-Molecular-Weight Drugs against the Main Protease of Severe Acute Respiratory Syndrome Coronavirus 2Gao, Jia / Zhang, Liang / Liu, Xiaodan / Li, Fudong / Ma, Rongsheng / Zhu, Zhongliang / Zhang, Jiahai / Wu, Jihui / Shi, Yunyu / Pan, Yueyin et al. | 2020
- 7273
-
Interplay between Glass Formation and Liquid–Liquid Phase Separation Revealed by the Scattering InvariantDa Vela, Stefano / Begam, Nafisa / Dyachok, Danylo / Schäufele, Richard Santiago / Matsarskaia, Olga / Braun, Michal K. / Girelli, Anita / Ragulskaya, Anastasia / Mariani, Alessandro / Zhang, Fajun et al. | 2020
- 7279
-
Nanoscale Relaxation in “Water-in-Salt” and “Water-in-Bisalt” ElectrolytesGonzález, Miguel A. / Borodin, Oleg / Kofu, Maiko / Shibata, Kaoru / Yamada, Takeshi / Yamamuro, Osamu / Xu, Kang / Price, David L. / Saboungi, Marie-Louise et al. | 2020
- 7285
-
Impact of the Synthesis Route on the Water Oxidation Kinetics of Hematite PhotoanodesMesa, Camilo A. / Steier, Ludmilla / Moss, Benjamin / Francàs, Laia / Thorne, James E. / Grätzel, Michael / Durrant, James R. et al. | 2020
- 7291
-
Total Correlation Spectroscopy across All NMR-Active Nuclei by Mixing at Zero FieldZhukov, Ivan V. / Kiryutin, Alexey S. / Ferrage, Fabien / Buntkowsky, Gerd / Yurkovskaya, Alexandra V. / Ivanov, Konstantin L. et al. | 2020
- 7297
-
Thinking about the Development of High-Pressure Experimental ChemistryZhao, Dianlong / Wang, Meiyi / Xiao, Guanjun / Zou, Bo et al. | 2020
- 7307
-
Heteroatom Tracing Reveals the 30-Atom Au–Ag Bimetallic Nanocluster as a Dimeric StructureLi, Yingwei / Taylor, Michael G. / Luo, Tian-Yi / Song, Yongbo / Rosi, Nathaniel L. / Mpourmpakis, Giannis / Jin, Rongchao et al. | 2020
- 7313
-
Pressure-Dependent Intermediate Magnetic Phase in Thin Fe3GeTe2 FlakesWang, Heshen / Xu, Runzhang / Liu, Cai / Wang, Le / Zhang, Zhan / Su, Huimin / Wang, Shanmin / Zhao, Yusheng / Liu, Zhaojun / Yu, Dapeng et al. | 2020
- 7320
-
Quantifying the Ultraslow Desorption Kinetics of 2,6-Naphthalenedicarboxylic Acid Monolayers at Liquid–Solid InterfacesOchs, Oliver / Martsinovich, Natalia / Heckl, Wolfgang M. / Lackinger, Markus et al. | 2020
- 7327
-
Sub-Toxic Concentrations of Ionic Liquids Enhance Cell Migration by Reducing the Elasticity of the Cellular Lipid MembraneKumari, Pallavi / Pillai, Visakh V. S. / Rodriguez, Brian J. / Prencipe, Maria / Benedetto, Antonio et al. | 2020
- 7334
-
Revealing the Influence of Salts on the Hydration Structure of Ionic SDS Micelles by Contrast-Variation Small-Angle Neutron ScatteringTung, Chi-Huan / Huang, Guan-Rong / Chang, Shou-Yi / Han, Youngkyu / Chen, Wei-Ren / Do, Changwoo et al. | 2020
- 7342
-
New Pressure Stabilization Structure in Two-Dimensional PtSe2Jiang, Kai / Cui, Anyang / Shao, Sen / Feng, Jiajia / Dong, Hongliang / Chen, Bin / Wang, Yanchao / Hu, Zhigao / Chu, Junhao et al. | 2020
- 7350
-
Experimental Realization of Diffusion with Stochastic ResettingTal-Friedman, Ofir / Pal, Arnab / Sekhon, Amandeep / Reuveni, Shlomi / Roichman, Yael et al. | 2020
- 7356
-
Emission States Variation of Single Graphene Quantum DotsGhosh, Subhabrata / Oleksiievets, Nazar / Enderlein, Jörg / Chizhik, Alexey I. et al. | 2020
- 7363
-
Insights into Water Permeation through hBN Nanocapillaries by Ab Initio Machine Learning Molecular Dynamics SimulationsGhorbanfekr, Hossein / Behler, Jörg / Peeters, François M. et al. | 2020
- 7371
-
The Bethe–Salpeter Equation Formalism: From Physics to ChemistryBlase, Xavier / Duchemin, Ivan / Jacquemin, Denis / Loos, Pierre-François et al. | 2020
- 7383
-
Oxide Relay: An Efficient Mechanism for Catalytic Water Oxidation at Hydrophobic Electrode Surfacesde Gracia Triviño, Juan Angel / Ahlquist, Mårten S. G. et al. | 2020
- 7388
-
Self-Lifting NaCl CrystalsSalim, Herish / Kolpakov, Paul / Bonn, Daniel / Shahidzadeh, Noushine et al. | 2020
- 7394
-
Spectroscopic Study of Sol–Gel Entrapped Triruthenium Dodecacarbonyl Catalyst Reveals Hydride FormationPatrow, Joel G. / Cheng, Yukun / Pyles, Cynthia G. / Luo, Bing / Tonks, Ian A. / Massari, Aaron M. et al. | 2020
- 7400
-
Simultaneous Suppression of π- and σ‑Transmission in π‑Conjugated MoleculesGarner, Marc H. / Solomon, Gemma C. et al. | 2020
- 7407
-
Sustainable Internal Electric Field for Enhanced Photocatalysis: From Material Design to Energy UtilizationDai, Baoying / Chen, Yukai / Hao, Shu-Meng / Huang, Hengming / Kou, Jiahui / Lu, Chunhua / Lin, Zhiqun / Xu, Zhongzi et al. | 2020
- 7417
-
Mixed Phospholipid Vesicles Catalytically Inhibit and Reverse Amyloid Fibril FormationChaparro Sosa, Andres F. / de Oliveira da Silva, Sabrina Matos / Morgan, Garry P. / Schwartz, Daniel K. / Kaar, Joel L. et al. | 2020
- 7423
-
Strong Electric Field Observed at the Interface of Aqueous MicrodropletsXiong, Hanqing / Lee, Jae Kyoo / Zare, Richard N. / Min, Wei et al. | 2020
- 7429
-
Hydration Shell Changes in Surfactant Aggregate Transitions Revealed by Raman-MCR SpectroscopyShen, Yutan / Liu, Bin / Cui, Jie / Xiang, Junfeng / Liu, Meirong / Han, Yuchun / Wang, Yilin et al. | 2020
- 7438
-
How to Identify, Attribute, and Quantify Triplet Defects in Ensembles of Small NanoparticlesSegawa, Takuya F. / Shames, Alexander I. et al. | 2020
- 7443
-
Photoinduced Enhanced Raman Probe for Use in Highly Specific and Sensitive Imaging for Tyrosine Dimerization in Inflammatory CellsKe, Zi-Yu / Tsai, Chi-Jui / Liao, Pei-Hsuan / Kong, Kien Voon et al. | 2020
- 7449
-
Computational Prediction of Novel Ice Phases: A PerspectiveZhu, Chongqin / Gao, Yurui / Zhu, Weiduo / Liu, Yuan / Francisco, Joseph S. / Zeng, Xiao Cheng et al. | 2020
- 7462
-
Deep Learning Based Prediction of Perovskite Lattice Parameters from Hirshfeld Surface FingerprintsWilliams, Logan / Mukherjee, Arpan / Rajan, Krishna et al. | 2020