Electronegativity is the average one-electron energy of the valence-shell electrons in ground-state free atoms
Note: In lieu of an abstract, this is the article's first page.
Cited By
This article is cited by 611 publications.
- Gabriel F.S. Fernandes, Francisco B. C. Machado, Luiz F. A. Ferrão. Electronic Structure of Small Isolated and Supported Manganese Oxide Clusters. The Journal of Physical Chemistry A 2023, 127
(42)
, 8773-8781. https://doi.org/10.1021/acs.jpca.3c01644
- Daigorou Hirai, Naoto Uematsu, Koh Saitoh, Naoyuki Katayama, Koshi Takenaka. Superconductivity in High-Entropy Antimonide M1–xPtxSb (M = Equimolar Ru, Rh, Pd, and Ir). Inorganic Chemistry 2023, 62
(35)
, 14207-14215. https://doi.org/10.1021/acs.inorgchem.3c01364
- Xiaoqing Liu, Yi-Ming Zhao, Xiuying Zhang, Lin Wang, Jiadong Shen, Miao Zhou, Lei Shen. Data-Driven Discovery of Transition Metal Dichalcogenide-Based Z-Scheme Photocatalytic Heterostructures. ACS Catalysis 2023, 13
(15)
, 9936-9945. https://doi.org/10.1021/acscatal.3c02315
- Hui Wang, Lisha Wei, Yueyue Jiao, Xiaodong Wen, Haijun Jiao. Metal–Support Interaction from Single Atoms to Single Clusters on the Fully Dehydrated Silica Surface. The Journal of Physical Chemistry C 2023, 127
(19)
, 8963-8977. https://doi.org/10.1021/acs.jpcc.2c08309
- Jie Hou, Runze Liu, Peigeng Han, Cheng Luo, Zhiling Ding, Wei Zhou, Cheng Li, Juntao Li, Yang Zhao, Junsheng Chen, Jianyong Liu, Bin Yang. Unveiling the Localized Exciton-Based Photoluminescence of Manganese Doped Cesium Zinc Halide Nanocrystals. Nano Letters 2023, 23
(9)
, 3762-3768. https://doi.org/10.1021/acs.nanolett.2c05101
- Stefano Racioppi, Phalgun Lolur, Per Hyldgaard, Martin Rahm. A Density Functional Theory for the Average Electron Energy. Journal of Chemical Theory and Computation 2023, 19
(3)
, 799-807. https://doi.org/10.1021/acs.jctc.2c00899
- Yu-Qing Yang, Shen-Jing Ji, Nian-Tzu Suen. Dual Function of Hypo-d-electronic Transition Metals in the Brewer Intermetallic Phase for the Highly Efficient Electrocatalytic Hydrogen Evolution Reaction in Alkaline Electrolytes. Inorganic Chemistry 2023, 62
(5)
, 2188-2196. https://doi.org/10.1021/acs.inorgchem.2c03891
- Xiaoyang Bi, Mengjia Xu, Zhengchao Xie, Yan Li, Jiyu Tian, Zhenmin Wang, Zuankai Wang. A Conceptual Strategy toward High-Reliability Metal–Thermoplastic Hybrid Structures Based on a Covalent-Bonding Mechanism. ACS Applied Materials & Interfaces 2022, 14
(44)
, 50363-50374. https://doi.org/10.1021/acsami.2c14385
- Heng Zhang, Junjie Wang, Frédéric Guégan, Gilles Frapper. Prediction of Two-Dimensional Group IV Nitrides AxNy (A = Sn, Ge, or Si): Diverse Stoichiometric Ratios, Ferromagnetism, and Auxetic Mechanical Property. The Journal of Physical Chemistry Letters 2022, 13
(40)
, 9316-9325. https://doi.org/10.1021/acs.jpclett.2c02376
- Michał J. Winiarski, Kamila Stolecka, Leszek Litzbarski, Thao T. Tran, Karolina Górnicka, Tomasz Klimczuk. MgPdSb─An Electron-Deficient Half-Heusler Phase. The Journal of Physical Chemistry C 2022, 126
(33)
, 14229-14235. https://doi.org/10.1021/acs.jpcc.2c01367
- Francesco Sessa, Martin Rahm. Electronegativity Equilibration. The Journal of Physical Chemistry A 2022, 126
(32)
, 5472-5482. https://doi.org/10.1021/acs.jpca.2c03814
- Yilv Guo, Xing Yu, Yehui Zhang, Xiwen Zhang, Shijun Yuan, Yafei Li, Shengyuan A. Yang, Jinlan Wang. 2D Multiferroicity with Ferroelectric Switching Induced Spin-Constrained Photoelectricity. ACS Nano 2022, 16
(7)
, 11174-11181. https://doi.org/10.1021/acsnano.2c04017
- Hangbo Qi, Zhehao Sun, Chen Shen, Zheng Chang, Zishen Wang, Xiaoping Wang, Meng Zhang, Ning Wang. High Thermoelectric Performance of Al2X2Se2 (X = Cl, Br, I) Monolayers with Strong Anisotropy in Lattice Thermal Conductivity. ACS Applied Energy Materials 2022, 5
(6)
, 7371-7381. https://doi.org/10.1021/acsaem.2c00872
- Robert Gericke, Jörg Wagler. Coordination and Electrochemical Switching on Paddle-Wheel Complexes Containing an As–Ru or a Sb–Ru Axis. Inorganic Chemistry 2021, 60
(23)
, 18122-18132. https://doi.org/10.1021/acs.inorgchem.1c02735
- Gordon Sproul. Cardinal Electronegativity Values Correlate with Physicochemical Properties. Inorganic Chemistry 2021, 60
(15)
, 10970-10978. https://doi.org/10.1021/acs.inorgchem.1c00630
- Fan Wang, Xinxin Tian, Haijun Jiao. Adsorption of CO, H2, H2O, and CO2 on Fe-, Co-, Ni-, Cu-, Pd-, and Pt-Doped Mo2C(101) Surfaces. The Journal of Physical Chemistry C 2021, 125
(21)
, 11419-11431. https://doi.org/10.1021/acs.jpcc.1c03372
- Kazuyuki Sakamoto, Hirotaka Ishikawa, Takashi Wake, Chie Ishimoto, Jun Fujii, Hendrik Bentmann, Minoru Ohtaka, Kenta Kuroda, Natsu Inoue, Takuma Hattori, Toshio Miyamachi, Fumio Komori, Isamu Yamamoto, Cheng Fan, Peter Krüger, Hiroshi Ota, Fumihiko Matsui, Friedrich Reinert, José Avila, Maria C. Asensio. Spatial Control of Charge Doping in n-Type Topological Insulators. Nano Letters 2021, 21
(10)
, 4415-4422. https://doi.org/10.1021/acs.nanolett.1c01100
- Mohamed Abdelsattar, Abd El-Fattah M. Badawi, Suzan Ibrahim, Ashraf F. Wasfy, Ahmed H. Tantawy, Mona M. Dardir. Corrosion Control of Carbon Steel in Water-Based Mud by Nanosized Metallo-Cationic Surfactant Complexes During Drilling Operations. ACS Omega 2020, 5
(48)
, 30881-30897. https://doi.org/10.1021/acsomega.0c03653
- Xingqun Zheng, Ling Zhang, Jiawei Huang, Lishan Peng, Mingming Deng, Li Li, Jing Li, Hongmei Chen, Zidong Wei. Boosting Hydrogen Evolution Reaction of Nickel Sulfides by Introducing Nonmetallic Dopants. The Journal of Physical Chemistry C 2020, 124
(44)
, 24223-24231. https://doi.org/10.1021/acs.jpcc.0c06971
- Antonio Campero, Javier Alejandro Díaz
Ponce. Averaged Scale in Electronegativity Joined to Physicochemical Perturbations. Consequences of Periodicity. ACS Omega 2020, 5
(40)
, 25520-25542. https://doi.org/10.1021/acsomega.0c00256
- Sangjune Park, Ki-jeong Kim, Young-Sang Youn. Ring-Opening Reaction of Tetrahydrofuran on Ge(100) Surface. ACS Omega 2020, 5
(36)
, 22926-22930. https://doi.org/10.1021/acsomega.0c02406
- Nanxi Miao, Junjie Wang, Yutong Gong, Jiazhen Wu, Haiyang Niu, Shiyao Wang, Kun Li, Artem R. Oganov, Tomofumi Tada, Hideo Hosono. Computational Prediction of Boron-Based MAX Phases and MXene Derivatives. Chemistry of Materials 2020, 32
(16)
, 6947-6957. https://doi.org/10.1021/acs.chemmater.0c02139
- Mingjie Liu, John R. Kitchin. SingleNN: Modified Behler–Parrinello Neural Network with Shared Weights for Atomistic Simulations with Transferability. The Journal of Physical Chemistry C 2020, 124
(32)
, 17811-17818. https://doi.org/10.1021/acs.jpcc.0c04225
- Wei Shen, Shengnan Shen, Sheng Liu, Hui Li, Zhiyin Gan, Qiaoxuan Zhang. Monolayer Cubic Boron Nitride Terminated Diamond (111) Surfaces for Quantum Sensing and Electron Emission Applications. ACS Applied Materials & Interfaces 2020, 12
(29)
, 33336-33345. https://doi.org/10.1021/acsami.0c05268
- Hongbin Zeng, Shiqi Chen, Yan Qi Jin, Jiawang Li, Jidong Song, Zhichen Le, Guofeng Liang, Hao Zhang, Fangyan Xie, Jian Chen, Yanshuo Jin, Xiaobo Chen, Hui Meng. Electron Density Modulation of Metallic MoO2 by Ni Doping to Produce Excellent Hydrogen Evolution and Oxidation Activities in Acid. ACS Energy Letters 2020, 5
(6)
, 1908-1915. https://doi.org/10.1021/acsenergylett.0c00642
- Jesús Sánchez-Márquez, Victor García, David Zorrilla, Manuel Fernández. On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set. The Journal of Physical Chemistry A 2020, 124
(23)
, 4700-4711. https://doi.org/10.1021/acs.jpca.0c01342
- Antonio Campero, Javier Alejandro Díaz Ponce. Relationship between the Atomic Structure and Electrochemistry. 1. Electric Force, Standard Reduction Potential E°, and Standard Reaction Gibbs Free Energy ΔG°. ACS Omega 2020, 5
(21)
, 12046-12056. https://doi.org/10.1021/acsomega.0c00257
- Gordon D. Sproul. Evaluation of Electronegativity Scales. ACS Omega 2020, 5
(20)
, 11585-11594. https://doi.org/10.1021/acsomega.0c00831
- Artem A. Babaryk, Oscar R. Contreras Almengor, María Cabrero-Antonino, Sergio Navalón, Hermenegildo García, Patricia Horcajada. A Semiconducting Bi2O2(C4O4) Coordination Polymer Showing a Photoelectric Response. Inorganic Chemistry 2020, 59
(6)
, 3406-3416. https://doi.org/10.1021/acs.inorgchem.9b03290
- Shuyuan Liu, Wei Li, Sung Wng Kim, Jin-Ho Choi. Decisive Role of Interlayer Ionic Couplings for the Electronic Properties of Two-Dimensional Layered Electrides. The Journal of Physical Chemistry C 2020, 124
(2)
, 1398-1404. https://doi.org/10.1021/acs.jpcc.9b09609
- Patrick McArdle. Systematic Procedure for Drawing Lewis Structures Based on Electron Pairing Priority and the Explicit Use of Donor Bonds: An Alternative to the Normal Procedure Which Can Be Pen and Paper Based or Automated on a PC in User Interactive 3D. Journal of Chemical Education 2019, 96
(7)
, 1412-1417. https://doi.org/10.1021/acs.jchemed.8b00868
- Martin Rahm, Roberto Cammi, N. W. Ashcroft, Roald Hoffmann. Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression. Journal of the American Chemical Society 2019, 141
(26)
, 10253-10271. https://doi.org/10.1021/jacs.9b02634
- Wesley Luc, Byung Hee Ko, Shyam Kattel, Shuang Li, Dong Su, Jingguang G. Chen, Feng Jiao. SO2-Induced Selectivity Change in CO2 Electroreduction. Journal of the American Chemical Society 2019, 141
(25)
, 9902-9909. https://doi.org/10.1021/jacs.9b03215
- James T. Moore, Sudipta Chatterjee, Maxime Tarrago, Laura J. Clouston, Stephen Sproules, Eckhard Bill, Varinia Bernales, Laura Gagliardi, Shengfa Ye, Kyle M. Lancaster, Connie C. Lu. Enhanced Fe-Centered Redox Flexibility in Fe–Ti Heterobimetallic Complexes. Inorganic Chemistry 2019, 58
(9)
, 6199-6214. https://doi.org/10.1021/acs.inorgchem.9b00442
- Dipak
Kumar Sahoo, Subhrakant Jena, Juhi Dutta, Abhijit Rana, Himansu S. Biswal. Nature and Strength of M–H···S and M–H···Se (M = Mn, Fe, & Co) Hydrogen Bond. The Journal of Physical Chemistry A 2019, 123
(11)
, 2227-2236. https://doi.org/10.1021/acs.jpca.8b12003
- Yi-Gang Chen, Meiling Xing, Yao Guo, Zheshuai Lin, Xiujun Fan, Xian-Ming Zhang. BeO6 Trigonal Prism with Ultralong Be–O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O27. Inorganic Chemistry 2019, 58
(3)
, 2201-2207. https://doi.org/10.1021/acs.inorgchem.8b03435
- Martin Rahm, Tao Zeng, Roald Hoffmann. Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy. Journal of the American Chemical Society 2019, 141
(1)
, 342-351. https://doi.org/10.1021/jacs.8b10246
- Ming-Hui Shang, Jing Zhang, Peng Zhang, Zuobao Yang, Jinju Zheng, Md Azimul Haque, Weiyou Yang, Su-Huai Wei, Tom Wu. Stable Bandgap-Tunable Hybrid Perovskites with Alloyed Pb–Ba Cations for High-Performance Photovoltaic Applications. The Journal of Physical Chemistry Letters 2019, 10
(1)
, 59-66. https://doi.org/10.1021/acs.jpclett.8b03352
- Rafał Zaremba, Maciej Dranka, Bartosz Trzaskowski, Lilianna Chęcińska, Paweł Horeglad. Probing the M–CNHC Bond and Its Effect on the Synthesis, Structure, and Reactivity of R2MOR(NHC) (M = Al, Ga, In) Complexes. Organometallics 2018, 37
(24)
, 4585-4598. https://doi.org/10.1021/acs.organomet.8b00570
- Eric A. Marro, Eric M. Press, Maxime A. Siegler, Rebekka S. Klausen. Directional Building Blocks Determine Linear and Cyclic Silicon Architectures. Journal of the American Chemical Society 2018, 140
(18)
, 5976-5986. https://doi.org/10.1021/jacs.8b02541
- Xuerong Zheng, Xiaopeng Han, Hui Liu, Jianjun Chen, Dongju Fu, Jihui Wang, Cheng Zhong, Yida Deng, Wenbin Hu. Controllable Synthesis of NixSe (0.5 ≤ x ≤ 1) Nanocrystals for Efficient Rechargeable Zinc–Air Batteries and Water Splitting. ACS Applied Materials & Interfaces 2018, 10
(16)
, 13675-13684. https://doi.org/10.1021/acsami.8b01651
- David Danovich, Cina Foroutan-Nejad, Philippe C. Hiberty, and Sason Shaik . Nature of the Three-Electron Bond. The Journal of Physical Chemistry A 2018, 122
(7)
, 1873-1885. https://doi.org/10.1021/acs.jpca.7b11919
- Yinyin Qian and Qing Yang . Straight Indium Antimonide Nanowires with Twinning Superlattices via a Solution Route. Nano Letters 2017, 17
(12)
, 7183-7190. https://doi.org/10.1021/acs.nanolett.7b01266
- Nicole L. Lampland, Aradhana Pindwal, KaKing Yan, Arkady Ellern, and Aaron D. Sadow . Rare Earth and Main Group Metal Poly(hydrosilyl) Compounds. Organometallics 2017, 36
(23)
, 4546-4557. https://doi.org/10.1021/acs.organomet.7b00383
- Jia-Syun Lu, Shih-Hao Su, Ming-Chung Yang, Xiang-Ting Wen, Jia-Zhen Xie, and Ming-Der Su . Substituent Effects on Boron–Bismuth Triple Bond: A New Target for Synthesis. Organometallics 2016, 35
(23)
, 3924-3931. https://doi.org/10.1021/acs.organomet.6b00659
- A. G. Kvashnin, E. Y. Pashkin, B. I. Yakobson, and P. B. Sorokin . Ionic Graphitization of Ultrathin Films of Ionic Compounds. The Journal of Physical Chemistry Letters 2016, 7
(14)
, 2659-2663. https://doi.org/10.1021/acs.jpclett.6b01214
- Timothy A. Su, Haixing Li, Rebekka S. Klausen, Jonathan R. Widawsky, Arunabh Batra, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls . Tuning Conductance in π–σ–π Single-Molecule Wires. Journal of the American Chemical Society 2016, 138
(24)
, 7791-7795. https://doi.org/10.1021/jacs.6b04394
- Zhi-Yong Luo, Kai-Xuan Chen, Dong-Chuan Mo, and Shu-Shen Lyu . A New Route for Surface Modification: Fluorine-Induced Superhydrophilicity. The Journal of Physical Chemistry C 2016, 120
(22)
, 11882-11888. https://doi.org/10.1021/acs.jpcc.6b00820
- Weiwei Xie, Elizabeth M. Seibel, and Robert J. Cava . The New Superconductor tP-SrPd2Bi2: Structural Polymorphism and Superconductivity in Intermetallics. Inorganic Chemistry 2016, 55
(7)
, 3203-3205. https://doi.org/10.1021/acs.inorgchem.5b02900
- Martin Rahm and Roald Hoffmann . Distinguishing Bonds. Journal of the American Chemical Society 2016, 138
(11)
, 3731-3744. https://doi.org/10.1021/jacs.5b12434
- Lisi Xie, Qing Zhao, Klavs F. Jensen, and Heather J. Kulik . Direct Observation of Early-Stage Quantum Dot Growth Mechanisms with High-Temperature Ab Initio Molecular Dynamics. The Journal of Physical Chemistry C 2016, 120
(4)
, 2472-2483. https://doi.org/10.1021/acs.jpcc.5b12091
- Vadim M. Kovrugin, Elijah E. Gordon, Esra E. Kasapbasi, Myung-Hwan Whangbo, Marie Colmont, Oleg I. Siidra, Silviu Colis, Sergey V. Krivovichev, and Olivier Mentré . Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2– Versus (SeO3)2– Building Units in Solids. The Journal of Physical Chemistry C 2016, 120
(3)
, 1650-1656. https://doi.org/10.1021/acs.jpcc.5b10889
- Michael S. Inkpen, Shuoren Du, Mariana Hildebrand, Andrew J. P. White, Nicholas M. Harrison, Tim Albrecht, and Nicholas J. Long . The Unusual Redox Properties of Fluoroferrocenes Revealed through a Comprehensive Study of the Haloferrocenes. Organometallics 2015, 34
(22)
, 5461-5469. https://doi.org/10.1021/acs.organomet.5b00811
- Zhizhang Yuan, Xianfeng Li, Yuyue Zhao, and Huamin Zhang . Mechanism of Polysulfone-Based Anion Exchange Membranes Degradation in Vanadium Flow Battery. ACS Applied Materials & Interfaces 2015, 7
(34)
, 19446-19454. https://doi.org/10.1021/acsami.5b05840
- Martin Rahm and Roald Hoffmann . Toward an Experimental Quantum Chemistry: Exploring a New Energy Partitioning. Journal of the American Chemical Society 2015, 137
(32)
, 10282-10291. https://doi.org/10.1021/jacs.5b05600
- Xinxin Tian, Tao Wang, Yong Yang, Yong-Wang Li, Jianguo Wang, and Haijun Jiao . Surface Morphology of Cu Adsorption on Different Terminations of the Hägg Iron Carbide (χ-Fe5C2) Phase. The Journal of Physical Chemistry C 2015, 119
(13)
, 7371-7385. https://doi.org/10.1021/acs.jpcc.5b01324
- Jonathan Furtado, Frank De Proft, and Paul Geerlings . The Noble Gases: How Their Electronegativity and Hardness Determines Their Chemistry. The Journal of Physical Chemistry A 2015, 119
(8)
, 1339-1346. https://doi.org/10.1021/jp5098876
- Jeremy D. Erickson, James C. Fettinger, and Philip P. Power . Reaction of a Germylene, Stannylene, or Plumbylene with Trimethylaluminum and Trimethylgallium: Insertion into Al–C or Ga–C Bonds, a Reversible Metal–Carbon Insertion Equilibrium, and a New Route to Diplumbenes. Inorganic Chemistry 2015, 54
(4)
, 1940-1948. https://doi.org/10.1021/ic502824w
- Uichiro Mizutani, Hirokazu Sato, Manabu Inukai, Yoichi Nishino, and Eeuwe Sieds Zijlstra . Electrons per Atom Ratio Determination and Hume-Rothery Electron Concentration Rule for P-Based Polar Compounds Studied by FLAPW–Fourier Calculations. Inorganic Chemistry 2015, 54
(3)
, 930-946. https://doi.org/10.1021/ic502286q
- Meirong Zhang, Yajuan Hao, Xiaohong Li, Lai Feng, Ting Yang, Yingbo Wan, Ning Chen, Zdeněk Slanina, Filip Uhlík, and Hailin Cong . Facile Synthesis of an Extensive Family of Sc2O@C2n (n = 35–47) and Chemical Insight into the Smallest Member of Sc2O@C2(7892)–C70. The Journal of Physical Chemistry C 2014, 118
(49)
, 28883-28889. https://doi.org/10.1021/jp509975w
- James C. Taggart, Elizabeth Z. Welch, Mary F. Mulqueen, Vincent B. Dioguardi, Alexandra G. Cauer, Bashkim Kokona, and Robert Fairman . Testing the Role of Charge and Structure on the Stability of Peptide–Porphyrin Complexes. Biomacromolecules 2014, 15
(12)
, 4544-4550. https://doi.org/10.1021/bm5013426
- Stefan Grimme . A General Quantum Mechanically Derived Force Field (QMDFF) for Molecules and Condensed Phase Simulations. Journal of Chemical Theory and Computation 2014, 10
(10)
, 4497-4514. https://doi.org/10.1021/ct500573f
- Xinxin Tian, Tao Wang, Yong Yang, Yong-Wang Li, Jianguo Wang, and Haijun Jiao . Adsorption Structures and Energies of Cun Clusters on the Fe(110) and Fe3C(001) Surfaces. The Journal of Physical Chemistry C 2014, 118
(38)
, 21963-21974. https://doi.org/10.1021/jp504791z
- Jun Dai, Xiaojun Wu, Jinlong Yang, and Xiao Cheng Zeng . AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell. The Journal of Physical Chemistry Letters 2014, 5
(12)
, 2058-2065. https://doi.org/10.1021/jz500674e
- Klaus Wittmaack . Novel Model of Negative Secondary Ion Formation and Its Use To Refine the Electronegativity of Almost Fifty Elements. Analytical Chemistry 2014, 86
(12)
, 5962-5968. https://doi.org/10.1021/ac501006g
- Igor V. Alabugin, Stefan Bresch, and Mariappan Manoharan . Hybridization Trends for Main Group Elements and Expanding the Bent’s Rule Beyond Carbon: More than Electronegativity. The Journal of Physical Chemistry A 2014, 118
(20)
, 3663-3677. https://doi.org/10.1021/jp502472u
- Gerald Knizia . Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts. Journal of Chemical Theory and Computation 2013, 9
(11)
, 4834-4843. https://doi.org/10.1021/ct400687b
- Majid El-Hamdi, Miquel Solà, Gernot Frenking, and Jordi Poater . Comparison between Alkalimetal and Group 11 Transition Metal Halide and Hydride Tetramers: Molecular Structure and Bonding. The Journal of Physical Chemistry A 2013, 117
(33)
, 8026-8034. https://doi.org/10.1021/jp4051403
- Majid El-Hamdi, Jordi Poater, F. Matthias Bickelhaupt, and Miquel Solà . X2Y2 Isomers: Tuning Structure and Relative Stability through Electronegativity Differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te). Inorganic Chemistry 2013, 52
(5)
, 2458-2465. https://doi.org/10.1021/ic3023503
- Gerald V. Gibbs, Nancy L. Ross, David F. Cox, Kevin M. Rosso, Bo B. Iversen, and Mark A. Spackman . Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions. The Journal of Physical Chemistry A 2013, 117
(7)
, 1632-1640. https://doi.org/10.1021/jp310462g
- R. Casalini, A. W. Snow, and C. M. Roland . Temperature Dependence of the Johari–Goldstein Relaxation in Poly(methyl methacrylate) and Poly(thiomethyl methacrylate). Macromolecules 2013, 46
(1)
, 330-334. https://doi.org/10.1021/ma3021322
- Yan-Yan Chen, Mei Dong, Jianguo Wang, and Haijun Jiao . Mechanisms and Energies of Water Gas Shift Reaction on Fe-, Co-, and Ni-Promoted MoS2 Catalysts. The Journal of Physical Chemistry C 2012, 116
(48)
, 25368-25375. https://doi.org/10.1021/jp308383r
- Xiaohu Yu, Sheng-Guang Wang, Yong-Wang Li, Jianguo Wang, and Haijun Jiao . Single Gold Atom Adsorption on the Fe3O4(111) Surface. The Journal of Physical Chemistry C 2012, 116
(19)
, 10632-10638. https://doi.org/10.1021/jp301313u
- Anna Wojtaszek, Maria Ziolek, and Frederik Tielens . Probing Acid–Base Properties in Group V Aluminum Containing Zeolites. The Journal of Physical Chemistry C 2012, 116
(3)
, 2462-2468. https://doi.org/10.1021/jp208638k
- Masato Murakami, Dachao Hong, Tomoyoshi Suenobu, Satoru Yamaguchi, Takashi Ogura, and Shunichi Fukuzumi . Catalytic Mechanism of Water Oxidation with Single-Site Ruthenium–Heteropolytungstate Complexes. Journal of the American Chemical Society 2011, 133
(30)
, 11605-11613. https://doi.org/10.1021/ja2024965
- Peter Politzer, Zenaida Peralta-Inga Shields, Felipe A. Bulat, and Jane S. Murray . Average Local Ionization Energies as a Route to Intrinsic Atomic Electronegativities. Journal of Chemical Theory and Computation 2011, 7
(2)
, 377-384. https://doi.org/10.1021/ct1006554
- Eluvathingal D. Jemmis, Subhendu Roy, V. V. Burlakov, H. Jiao, M. Klahn, S. Hansen and U. Rosenthal . Are Metallocene−Acetylene (M = Ti, Zr, Hf) Complexes Aromatic Metallacyclopropenes?. Organometallics 2010, 29
(1)
, 76-81. https://doi.org/10.1021/om900743g
- Evelyn L. Rosen, C. Daniel Varnado, Jr., Andrew G. Tennyson, Dimitri M. Khramov, Justin W. Kamplain, Daphne H. Sung, Philip T. Cresswell, Vincent M. Lynch and Christopher W. Bielawski. Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties. Organometallics 2009, 28
(23)
, 6695-6706. https://doi.org/10.1021/om900698x
- Qiang-gen Li and Ying Xue . Effects of Substituent and Leaving Group on the Gas-Phase SN2 Reactions of Phenoxides with Halomethanes: A DFT Investigation. The Journal of Physical Chemistry A 2009, 113
(38)
, 10359-10366. https://doi.org/10.1021/jp905346e
- F. Yang, R. Hunger, K. Roodenko, K. Hinrichs, K. Rademann and J. Rappich . Vibrational and Electronic Characterization of Ethynyl Derivatives Grafted onto Hydrogenated Si(111) Surfaces. Langmuir 2009, 25
(16)
, 9313-9318. https://doi.org/10.1021/la900871g
- Young-Sang Youn, Soon Jung Jung, Hangil Lee and Sehun Kim . Intrarow Adsorption Structure of Glycine on Ge(100). Langmuir 2009, 25
(13)
, 7438-7442. https://doi.org/10.1021/la9003565
- Felipe A. Bulat, Mel Levy and Peter Politzer. Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories. The Journal of Physical Chemistry A 2009, 113
(7)
, 1384-1389. https://doi.org/10.1021/jp809406p
- Jukka T. Tanskanen, Mikko Linnolahti, Antti J. Karttunen and Tapani A. Pakkanen. Hydrogenated Monolayer Sheets of Group 13−15 Binary Compounds: Structural and Electronic Characteristics. The Journal of Physical Chemistry C 2009, 113
(1)
, 229-234. https://doi.org/10.1021/jp807300m
- Panaghiotis Karamanis, Claude Pouchan and Jerzy Leszczynski . Electric Dipole (Hyper)polarizabilities of Selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III−V Semiconductor Clusters. An ab Initio Comparative Study. The Journal of Physical Chemistry A 2008, 112
(51)
, 13662-13671. https://doi.org/10.1021/jp8071603
- Siamak Noorizadeh and, Ehsan Shakerzadeh. A New Scale of Electronegativity Based on Electrophilicity Index. The Journal of Physical Chemistry A 2008, 112
(15)
, 3486-3491. https://doi.org/10.1021/jp709877h
- Guohua Tian,, Junsu Jin, and, Zeting Zhang. Prediction of Solubility of the Aromatic Compounds in Supercritical CO2 Using Molecular Topology. Industrial & Engineering Chemistry Research 2007, 46
(19)
, 6326-6331. https://doi.org/10.1021/ie0701874
- Fabrice Salles,, Olivier Bildstein,, Jean-Marc Douillard,, Michel Jullien, and, Henri Van Damme. Determination of the Driving Force for the Hydration of the Swelling Clays from Computation of the Hydration Energy of the Interlayer Cations and the Clay Layer. The Journal of Physical Chemistry C 2007, 111
(35)
, 13170-13176. https://doi.org/10.1021/jp0719762
- M. E. Arroyo-de Dompablo,, P. Rozier,, M. Morcrette, and, J-M. Tarascon. Electrochemical Data Transferability within LiyVOXO4 (X = Si, Ge0.5Si0.5, Ge, Si0.5As0.5, Si0.5P0.5, As, P) Polyoxyanionic Compounds. Chemistry of Materials 2007, 19
(10)
, 2411-2422. https://doi.org/10.1021/cm0612696
- G. V. Gibbs,, M. A. Spackman,, D. Jayatilaka,, K. M. Rosso, and, D. F. Cox. Bond Length and Local Energy Density Property Connections for Non-Transition-Metal Oxide-Bonded Interactions. The Journal of Physical Chemistry A 2006, 110
(44)
, 12259-12266. https://doi.org/10.1021/jp062992m
- James F. Harrison. Relationship between the Charge Distribution and Dipole Moment Functions of CO and the Related Molecules CS, SiO, and SiS. The Journal of Physical Chemistry A 2006, 110
(37)
, 10848-10857. https://doi.org/10.1021/jp058279z
- Andrea Alparone, , Heribert Reis and, Manthos G. Papadopoulos. Theoretical Investigation of the (Hyper)polarizabilities of Pyrrole Homologues C4H4XH (X = N, P, As, Sb, Bi). A Coupled-Cluster and Density Functional Theory Study. The Journal of Physical Chemistry A 2006, 110
(17)
, 5909-5918. https://doi.org/10.1021/jp0574605
- Kalathingal T. Giju,, Frank De Proft, and, Paul Geerlings. Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atoms and Functional Groups, −XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At). The Journal of Physical Chemistry A 2005, 109
(12)
, 2925-2936. https://doi.org/10.1021/jp050463x
- Huadong Wang,, Charles Edwin Webster,, Lisa M. Pérez,, Michael B. Hall, and, François P. Gabbaï. Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C−F→C Bridge. Journal of the American Chemical Society 2004, 126
(26)
, 8189-8196. https://doi.org/10.1021/ja048501y
- T. Darrah Thomas,, Leif J. Saethre,, Knut J. Børve,, John D. Bozek,, Marko Huttula, and, Edwin Kukk. Carbon 1s Photoelectron Spectroscopy of Halomethanes. Effects of Electronegativity, Hardness, Charge Distribution, and Relaxation. The Journal of Physical Chemistry A 2004, 108
(22)
, 4983-4990. https://doi.org/10.1021/jp049510w
- Wojciech Grochala and, Peter P. Edwards. Thermal Decomposition of the Non-Interstitial Hydrides for the Storage and Production of Hydrogen. Chemical Reviews 2004, 104
(3)
, 1283-1316. https://doi.org/10.1021/cr030691s
- G. V. Gibbs,, Andrew E. Whitten,, Mark A. Spackman,, Marilena Stimpfl,, Robert T. Downs, and, Michael D. Carducci. An Exploration of Theoretical and Experimental Electron Density Distributions and SiO Bonded Interactions for the Silica Polymorph Coesite. The Journal of Physical Chemistry B 2003, 107
(47)
, 12996-13006. https://doi.org/10.1021/jp030583+
- Chin-Hung Lai,, Ming-Der Su, and, San-Yan Chu. Theoretical Study of HNXH (X = N, P, As, Sb, and Bi) Isomers in the Singlet and Triplet States. The Journal of Physical Chemistry A 2003, 107
(15)
, 2700-2710. https://doi.org/10.1021/jp021842i
- P. Bultinck,, W. Langenaeker,, P. Lahorte,, F. De Proft,, P. Geerlings,, M. Waroquier, and, J. P. Tollenaere. The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations. The Journal of Physical Chemistry A 2002, 106
(34)
, 7887-7894. https://doi.org/10.1021/jp0205463
- Cherumuttathu H. Suresh and, Nobuaki Koga. A Molecular Electrostatic Potential Bond Critical Point Model for Atomic and Group Electronegativities. Journal of the American Chemical Society 2002, 124
(8)
, 1790-1797. https://doi.org/10.1021/ja017122r
- Norbert W. Mitzel,, Udo Losehand,, Sarah L. Hinchley, and, David W. H. Rankin. Synthesis, Decomposition, and Structural Studies in the Gas Phase and Solid State of N,N-Dimethylaminoxygermane. Inorganic Chemistry 2001, 40
(4)
, 661-666. https://doi.org/10.1021/ic0007409