Density Functional Theory (DFT) Study on the Structures and Energetic Properties of Isomers of Tetranitro-bis-1,2,4-triazoles (Unknown)
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In:
ACS Omega
;
5
, 31
;
19464-19468
;
2020
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Density Functional Theory (DFT) Study on the Structures and Energetic Properties of Isomers of Tetranitro-bis-1,2,4-triazoles
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Additional title:ACS Omega
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Contributors:Bao, Fang ( author ) / Li, Yi ( author ) / Liu, Wei ( author ) / She, Chongchong ( author ) / Chen, Kun ( author ) / Li, Lijie ( author ) / Jin, Shaohua ( author )
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Published in:ACS Omega ; 5, 31 ; 19464-19468
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Publisher:
- New search for: American Chemical Society
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Publication date:2020-08-11
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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 5, Issue 31
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.
- 19315
-
Eco-Friendly Synthesis, Crystal Chemistry, and Magnetic Properties of Manganese-Substituted CoFe2O4 NanoparticlesAnsari, Sumayya M. / Ghosh, Kartik C. / Devan, Rupesh S. / Sen, Debasis / Sastry, Pulya U. / Kolekar, Yesh D. / Ramana, C. V. et al. | 2020
- 19331
-
Facile Approach to Fabricate a Chemical Sensor Array Based on Nanocurcumin–Metal Ions Aggregates: Detection and Identification of DNA NucleobasesRasouli, Zolaikha / Ghavami, Raouf et al. | 2020
- 19342
-
Effects of Crude Palm Oil and Crude Palm Kernel Oil Upon Wax InhibitionRagunathan, Thevaruban / Husin, Hazlina / Wood, Colin D. et al. | 2020
- 19350
-
Micellization Behavior of Conventional Cationic Surfactants within Glycerol-Based Deep Eutectic SolventBanjare, Ramesh Kumar / Banjare, Manoj Kumar / Behera, Kamalakanta / Pandey, Siddharth / Ghosh, Kallol K. et al. | 2020
- 19363
-
Mild and Versatile Functionalization of Nacre-Mimetic Cellulose Nanofibrils/Clay Nanocomposites by Organocatalytic Surface EngineeringAlimohammadzadeh, Rana / Medina, Lilian / Deiana, Luca / Berglund, Lars A. / Córdova, Armando et al. | 2020
- 19371
-
Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion ComplexesOqmhula, Kenji / Hongo, Kenta / Maezono, Ryo / Ichibha, Tom et al. | 2020
- 19377
-
Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics SimulationsKwiecińska, Klaudia / Stachowicz-Kuśnierz, Anna / Jagusiak, Anna / Roterman, Irena / Korchowiec, Jacek et al. | 2020
- 19385
-
Multifractal Analysis in Characterizing Adsorption Pore Heterogeneity of Middle- and High-Rank Coal ReservoirsZhang, Junjian / Wei, Chongtao / Chu, Xuanxuan / Vandeginste, Veerle / Ju, Wei et al. | 2020
- 19402
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Study of the Characteristics of Two Immobilized Microbial Materials in Degradation and Evolution of Petroleum HydrocarbonLuo, Xiaofang / Chen, Lihua / Zhao, Shujing / Lei, Zhongchun / Xia, Miaomiao / Zhang, Chuantao et al. | 2020
- 19409
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Scalable Synthesis of Few-Layered 2D Tungsten Diselenide (2H-WSe2) Nanosheets Directly Grown on Tungsten (W) Foil Using Ambient-Pressure Chemical Vapor Deposition for Reversible Li-Ion StorageKonar, Rajashree / Rosy / Perelshtein, Ilana / Teblum, Eti / Telkhozhayeva, Madina / Tkachev, Maria / Richter, Jonathan J. / Cattaruzza, Elti / Pietropolli Charmet, Andrea / Stoppa, Paolo et al. | 2020
- 19422
-
Density Functional Theoretical Study on the Electronic Structure of Rh2O7 + with Low Oxidation StatesQuan, Yaping / Zhao, Yanying et al. | 2020
- 19429
-
Perfusion Chamber for Observing a Liposome-Based Cell Model Prepared by a Water-in-Oil Emulsion Transfer MethodSugiyama, Hironori / Osaki, Toshihisa / Takeuchi, Shoji / Toyota, Taro et al. | 2020
- 19437
-
Injectable Poly(ethylene glycol) Hydrogels Cross-Linked by Metal–Phenolic Complex and Albumin for Controlled Drug ReleaseBubpamala, Theeraporn / Viravaidya-Pasuwat, Kwanchanok / Pholpabu, Pitirat et al. | 2020
- 19446
-
An Improved Synthesis of the Triethylene Glycol-Substituted 4‑(N‑Methyl‑N‑Boc-Amino)StyrylpyridineJia, Jianhua / Wei, Huiqiang / Duan, Yuqing / Ning, Hongxin / Yu, Jiang / Zhu, Yuan / Hou, Wenbin / Li, Yiliang et al. | 2020
- 19453
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The Active Center of Co–N–C Electrocatalysts for the Selective Reduction of CO2 to CO Using a Nafion‑H Electrolyte in the Gas PhaseOgihara, Hitoshi / Maezuru, Tomomi / Ogishima, Yuji / Inami, Yuta / Saito, Mayuko / Iguchi, Shoji / Yamanaka, Ichiro et al. | 2020
- 19464
-
Density Functional Theory (DFT) Study on the Structures and Energetic Properties of Isomers of Tetranitro-bis-1,2,4-triazolesBao, Fang / Li, Yi / Liu, Wei / She, Chongchong / Chen, Kun / Li, Lijie / Jin, Shaohua et al. | 2020
- 19469
-
A Copper(II) Macrocycle Complex for Sensing Biologically Relevant Organic Anions in a Competitive Fluorescence Assay: Oxalate Sensor or Urate Sensor?Hontz, David / Hensley, Jayden / Hiryak, Kayla / Lee, Jennifer / Luchetta, Jared / Torsiello, Maria / Venditto, Michael / Lucent, Del / Terzaghi, William / Mencer, Donald et al. | 2020
- 19478
-
Antiarthritic Potential of Comprehensively Standardized Extract of Alternanthera bettzickiana: In Vitro and In Vivo StudiesManan, Maria / Saleem, Uzma / Akash, Muhammad Sajid Hamid / Qasim, Muhammad / Hayat, Muhammad / Raza, Zohaib / Ahmad, Bashir et al. | 2020
- 19497
-
Nature and Distribution of Cu and Pd Species in CuPd/TiO2–Na Bimetallic Catalysts for Glycerol HydrodeoxygenationArdila A, Alba N. / Arriola-Villaseñor, Erasmo / Fuentes, Gustavo A. et al. | 2020
- 19506
-
Anti-Inflammatory, Antinociceptive, and Antioxidant Properties of Anacardic Acid in Experimental ModelsGomes Júnior, Antonio Luiz / Islam, Muhammad Torequl / Nicolau, Lucas Antonio Duarte / de Souza, Luan Kevin Miranda / Araújo, Tiago de Souza Lopes / Lopes de Oliveira, Guilherme Antônio / de Melo Nogueira, Kerolayne / da Silva Lopes, Luciano / Medeiros, Jand-Venes Rolim / Mubarak, Mohammad S. et al. | 2020
- 19516
-
Narrow-Band SrMgAl10O17:Eu2+, Mn2+ Green Phosphors for Wide-Color-Gamut Backlight for LCD DisplaysKang, Heejoon / Lee, Keyong Nam / Unithrattil, Sanjith / Kim, Ha Jun / Oh, Ji Hye / Yoo, Jae Soo / Im, Won Bin / Do, Young Rag et al. | 2020
- 19525
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Co-Electrolysis-Assisted Decomposition of Hydroxylammonium Nitrate–Fuel Mixtures Using Stainless Steel–Platinum ElectrodesChai, Wai Siong / Sun, Dashan / Cheah, Kean How / Li, Gang / Meng, Hua et al. | 2020
- 19533
-
Study on Speed and Clearance Optimization of All-Metal Progressing Cavity Pumps: Experiment and SimulationZhang, Heng / Wu, Xiaodong / An, Yongsheng et al. | 2020
- 19541
-
Liquid Cathode Glow Discharge as an Excitation Source for the Analysis of Complex Water Samples with Atomic Emission SpectrometryYu, Jie / Zhang, Xiaomin / Lu, Quanfang / Yin, Ling / Feng, Feifei / Luo, Hui / Kang, Yuejing et al. | 2020
- 19548
-
Dewaxed Honeycomb as an Economic and Sustainable Scavenger for Malachite Green from WaterKumari, Roshni / Khan, Md. Adnan / Mahto, Mithilesh / Qaiyum, Md. Atif / Mohanta, Jhilirani / Dey, Banashree / Dey, Soumen et al. | 2020
- 19557
-
Rapid and Efficient Synthesis of [11C]Trifluoromethylarenes from Primary Aromatic Amines and [11C]CuCF3Young, Nicholas J. / Pike, Victor W. / Taddei, Carlotta et al. | 2020
- 19565
-
Pore Structure Characteristics of Coal and Their Geological Controlling Factors in Eastern Yunnan and Western Guizhou, ChinaZhang, Zhengguang / Qin, Yong / Yi, Tongsheng / You, Zhenjiang / Yang, Zhaobiao et al. | 2020
- 19579
-
Experimental and Comprehensive Evaluation of Vegetable Oils for Biomass Tar AbsorptionLi, Jian / Wang, Qing / Tao, Junyu / Yan, Beibei / Chen, Guanyi et al. | 2020
- 19589
-
Theoretical Insights into the Catalytic Effect of Transition-Metal Ions on the Aquathermal Degradation of Sulfur-Containing Heavy Oil: A DFT Study of Cyclohexyl Phenyl Sulfide CleavageTverdov, Ilya / Khafizov, Nail R. / Madzhidov, Timur I. / Varfolomeev, Mikhail A. / Yuan, Chengdong / Kadkin, Oleg N. et al. | 2020
- 19598
-
Protonation Equilibria of N‑AcetylcysteineFazary, Ahmed E. / Awwad, Nasser S. / Ibrahium, Hala A. / Shati, Ali A. / Alfaifi, Mohammad Y. / Ju, Yi-Hsu et al. | 2020
- 19606
-
Swelling of Shales by Supercritical Carbon Dioxide and Its Relationship to SorptionAo, Xiang / Qi, Zhilin / Xiang, Zuping / Li, Zhiqiang / Qu, Hai / Wang, Ziyi et al. | 2020
- 19615
-
Ag-Modified g‑C3N4 Prepared by a One-Step Calcination Method for Enhanced Catalytic Efficiency and StabilityLiu, Runxue / Yang, Wanliang / He, Guiwei / Zheng, Wei / Li, Maokun / Tao, Wenliang / Tian, Mengkui et al. | 2020
- 19625
-
Redox-Switchable Biocatalyst for Controllable Oxidation or Reduction of 5‑Hydroxymethylfurfural into High-Value DerivativesXu, Jiaxing / He, Aiyong / Wu, Bin / Hu, Lei / Liu, Xiaoyan / Wu, Zhen / Xia, Jun / Xu, Jiming / Zhou, Shouyong et al. | 2020
- 19633
-
Leaching of Valuable Elements from the Waste Chromite Ore Processing Residue: A Kinetic AnalysisZhang, Xingran / Li, Gang / Wu, Jun / Xiong, Neng / Quan, Xuejun et al. | 2020
- 19639
-
Bioinspired Polydopamine Coating as an Adhesion Enhancer Between Paraffin Microcapsules and an Epoxy MatrixFredi, Giulia / Simon, Frank / Sychev, Dmitrii / Melnyk, Inga / Janke, Andreas / Scheffler, Christina / Zimmerer, Cordelia et al. | 2020
- 19654
-
“Metal-Free” Fluorescent Supramolecular Assemblies for Distinct Detection of Organophosphate/Organochlorine PesticidesSharma, Pooja / Kumar, Manoj / Bhalla, Vandana et al. | 2020
- 19661
-
New 8‑O-4′ Neolignans and Their Antibacterial Activity from the Whole Plants of Clematis lasiandraHao, Nan / Han, Lirong / Li, Yantao / Li, Jiao / Tian, Xiaolin / Kong, Dan / Tian, Xiangrong et al. | 2020
- 19667
-
Process Analysis of Hydrogen Production via Biomass Gasification under Computer-Aided Safety and Environmental AssessmentsMeramo-Hurtado, Samir I. / Puello, Plinio / Cabarcas, Amaury et al. | 2020
- 19682
-
Hydrocarbon Generation and Chemical Structure Evolution from Confined Pyrolysis of Bituminous CoalLi, Wu / Zhu, Yan-Ming / Hu, Chang-Qing / Han, Sheng-Bo / Wu, Jin-Shui et al. | 2020
- 19695
-
An Excited State Intramolecular Proton Transfer-Based Fluorescent Probe with a Large Stokes Shift for the Turn-on Detection of Cysteine: A Detailed Theoretical ExplorationDing, Sha / Xu, Aixiang / Sun, Aokui / Xia, Yong / Liu, Yuejun et al. | 2020
- 19702
-
One-Day TALEN Assembly Protocol and a Dual-Tagging System for Genome EditingZhang, Shuyan / Wang, Jun / Wang, Jinke et al. | 2020
- 19715
-
Waste Biomass-Derived Carbon Anode for Enhanced Lithium StorageYokokura, Takashi J. / Rodriguez, Jassiel R. / Pol, Vilas G. et al. | 2020
- 19721
-
Design, Synthesis, Antiviral Bioactivity, and Mechanism of the Ferulic Acid Ester-Containing Sulfonamide MoietyRen, Xiaoli / Li, Xiangyang / Yin, Limin / Jiang, Donghao / Hu, Deyu et al. | 2020
- 19727
-
Catalytic Steam Reforming of Bio-Oil-Derived Acetic Acid over CeO2‑ZnO Supported Ni Nanoparticle CatalystsLuo, Shan / Fu, Peng / Sun, Fazhe / Wang, Bing / Zhang, Andong / Wang, Jianlin / Sun, Qi et al. | 2020
- 19737
-
Biofilm-Related, Time-Series Transcriptome and Genome Sequencing in Xylanase-Producing Aspergillus niger SJ1Sun, Wenjun / Liu, Li / Yu, Ying / Yu, Bin / Liang, Caice / Ying, Hanjie / Liu, Dong / Chen, Yong et al. | 2020
- 19747
-
Conversion of a Type-II to a Z‑Scheme Heterojunction by Intercalation of a 0D Electron Mediator between the Integrative NiFe2O4/g‑C3N4 Composite Nanoparticles: Boosting the Radical Production for Photo-Fenton DegradationPalanivel, Baskaran / Mani, Alagiri et al. | 2020
- 19760
-
Characterization of Hen’s Egg White To Use It as a Novel Platform To Culture Three-Dimensional Multicellular Tumor SpheroidsBalaji, Perumalsamy / Murugadas, Anbazhagan / Ramkumar, Arunachalam / Thirumurugan, Ramasamy / Shanmugaapriya, Sellathamby / Akbarsha, Mohammad Abdulkader et al. | 2020
- 19771
-
Design of Fluorescence-Enhanced Silver Nanoisland Chips for High-Throughput and Rapid Arsenite AssayYen, Hung-Chi / Kuo, Tsung-Rong / Huang, Min-Hui / Huang, Hao-Kang / Chen, Chia-Chun et al. | 2020
- 19778
-
Site-Specific Lipidation of a Small-Sized Protein Binder Enhances the Antitumor Activity through Extended Blood Half-LifeKim, Tae Yoon / Nam, You Ree / Park, Jin Ho / Lee, Dong-Eun / Kim, Hak-Sung et al. | 2020
- 19785
-
Pore Size Distribution Characteristics of High Rank Coal with Various Grain SizesLiu, Ling-li / Cui, Ze-hong / Wang, Jian-jun / Xia, Zhao-hui / Duan, Li-jiang / Yang, Yong / Li, Ming / Li, Teng et al. | 2020
- 19796
-
Ratiometric Fluorescent Microgels for Sensing Extracellular Microenvironment pH during Biomaterial DegradationLi, Feiyang / Liu, Yuan / Xu, Yingqi / Li, Yanqun / Liu, Juan / Lv, Minmin / Ruan, Changshun / Pan, Haobo / Zhao, Xiaoli et al. | 2020
- 19805
-
Translocation of a Polyelectrolyte through a Nanopore in the Presence of Trivalent Counterions: A Comparison with the Cases in Monovalent and Divalent Salt SolutionsHsiao, Pai-Yi et al. | 2020
- 19820
-
Additive Combination of Spectra Reflected from Porous Silicon and Carbon/Porous Silicon Rugate Filters to Improve Vapor SelectivityKittle, Joshua D. / Gofus, John S. / Abel, Andrea N. / Evans, Benjamin D. et al. | 2020
- 19827
-
Dually Reactive Long Recombinant Linkers for Bioconjugations as an Alternative to PEGKjeldsen, Thomas / Hogendorf, Wouter F. J. / Tornøe, Christian W. / Anderson, Jonathan / Hubalek, Frantisek / Stidsen, Carsten E. / Sorensen, Jan L. / Hoeg-Jensen, Thomas et al. | 2020
- 19834
-
Highly Sensitive Surface-Enhanced Raman Spectroscopy Substrates of Ag@PAN Electrospinning Nanofibrous Membranes for Direct Detection of BacteriaYang, Yan / Zhang, Zhijie / Wan, Menghui / Wang, Zhihua / Zhao, Yanbao / Sun, Lei et al. | 2020
- 19844
-
Honokiol-Chlorambucil Co-Prodrugs Selectively Enhance the Killing Effect through STAT3 Binding on Lymphocytic Leukemia Cells In Vitro and In VivoXia, Li / Kang, Dali / Wan, Dan / Chu, Chu / Chen, Meizi / Zhang, Shuihan / Li, Xiong / He, Leye / Yan, Jianye / Liu, Teng et al. | 2020
- 19853
-
Size-Controlled Synthesis of Iron and Iron Oxide Nanoparticles by the Rapid Inductive Heating MethodSharma, Pratikshya / Holliger, Noah / Pfromm, Peter Heinz / Liu, Bin / Chikan, Viktor et al. | 2020
- 19861
-
Fabrication of a TiO2/Fe2O3 Core/Shell Nanostructure by Pulse Laser Deposition toward Stable and Visible Light Photoelectrochemical Water SplittingLu, Hao / Fang, Song / Hu, Jundie / Chen, Bo / Zhao, Run / Li, Huishu / Li, Chang Ming / Ye, Jinhua et al. | 2020
- 19868
-
Influence of the C‑Terminal Tail of RecA Proteins from Alkaline pH-Resistant Bacterium Deinococcus FicusFan, Hsiu-Fang / Su, Shu / Kuo, Ying-An / Chen, Cyuan-Ji et al. | 2020
- 19877
-
Adsorption of H2S from Hydrocarbon Gas Using Doped Bentonite: A Molecular Simulation StudyLasich, Matthew et al. | 2020
- 19884
-
Model Development for Nanosecond Laser-Induced Damage Caused by Manufacturing-Induced Defects on Potassium Dihydrogen Phosphate CrystalsYang, Hao / Cheng, Jian / Liu, Zhichao / Liu, Qi / Zhao, Linjie / Tan, Chao / Wang, Jian / Chen, Mingjun et al. | 2020
- 19896
-
Nanomolar Detection of H2S in an Aqueous Medium: Application in Endogenous and Exogenous Imaging of HeLa Cells and ZebrafishNaha, Sanay / Thirumalaivasan, Natesan / Garai, Somenath / Wu, Shu-Pao / Velmathi, Sivan et al. | 2020
- 19905
-
Green Synthesis of Full-Color Fluorescent Carbon Nanoparticles from Eucalyptus Twigs for Sensing the Synthetic Food Colorant and BioimagingDamera, Deepthi Priyanka / Manimaran, Raghuraman / Krishna Venuganti, Venkata Vamsi / Nag, Amit et al. | 2020
- 19919
-
Correction to “Role of Intermediate Dynamics in Controlling Hydrogenation Selectivity by Heterogeneous Catalysis”Shahrokhi, Masoud et al. | 2020