검색어 : 통합검색[Studies in physical and theoretical chemistry]
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991
- DFT Study on the Spin States of Polyaniline-3d Transition-Metal (Sc-Zn) Composites and Their Sensing Application to Detect Chemical Warfare Agents
- Garg, Shivangi; Singla, Rajan; Goel, Neetu; Computational and Theoretical Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry , Panjab University , Chandigarh 160014 , India; Computational and Theoretical Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry , Panjab University , Chandigarh 160014 , India; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.128, 2024, pp.773-784)
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992
- A theoretical study on anion sensing mechanism of multi-phosphonium triarylboranes: intramolecular charge transfer and configurational changes
- Bhat, Haamid R.; Jha, Prakash C.; Computational Chemistry Laboratory, School of Chemical Sciences, Central University of Gujarat; Centre for Applied Chemistry, Central University of Gujarat; (Physical chemistry chemical physics : PCCP, v.19, 2017, pp.14811-14820)
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993
- Tautomeric forms of <I>N</I>-(5-nitrosalicylidene)-2-butylamine: Experimental and theoretical DFT study
- Kukawska-Tarnawska, B.; Leś , A.; Dziembowska, T.; Rozwadowski, Z.J.; ; (Journal of molecular structure, v.928, 2009, pp.25-31)
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994
- Protonation induced shifting of electron-accepting centers in intramolecular charge transfer chromophores: a theoretical study
- Tang, Tao; Chi, Hong; Lin, Tingting; Wang, FuKe; He, Chaobin; Department of Materials Science and Engineering, National University of Singapore; Department of Chemistry, National University of Singapore; Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research); Institute of Materials Research and Engineering, A*STAR (Agency for Science, Technology and Research); Department of Materials Science and Engineering, National University of Singapore; (Physical chemistry chemical physics : PCCP, v.16, 2014, pp.20221-20227)
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995
- Photophysical and Theoretical Insights on Fullerene/Zincphthalocyanine Supramolecular Interaction in Solution
- Ray, Anamika; Santhosh, Kotni; Bhattacharya, Sumanta; Department of Chemistry, The University of Burdwan, Golapbag, Burdwan - 713 104, India; School of Chemistry, University of Hyderabad, Hyderabad, AP - 500 046, India; Department of Chemistry, The University of Burdwan, Golapbag, Burdwan - 713 104, India; (The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, v.116, 2012, pp.11979-11998)
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996
- Theoretical study on proton diffusivity in Y-doped BaZrO<sub>3</sub> with realistic dopant configurations
- Fujii, Takeo; Toyoura, Kazuaki; Uda, Tetsuya; Kasamatsu, Shusuke; Department of Materials Science and Engineering, Kyoto University; Department of Materials Science and Engineering, Kyoto University; Department of Materials Science and Engineering, Kyoto University; Academic Assembly (Faculty of Science), Yamagata University; (Physical chemistry chemical physics : PCCP, v.23, 2021, pp.5908-5918)
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997
- Titanium incorporation into hematite photoelectrodes: theoretical considerations and experimental observations
- Kronawitter, C. X.; Zegkinoglou, I.; Shen, S.-H.; Liao, P.; Cho, I. S.; Zandi, O.; Liu, Y.-S.; Lashgari, K.; Westin, G.; Guo, J.-H.; Himpsel, F. J.; Carter, E. A.; Zheng, X. L.; Hamann, T. W.; Koel, B. E.; Mao, S. S.; Vayssieres, L.; Department of Chemical and Biological Engineering, Princeton University; International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaotong University; International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow in Power Engineering, Xi'an Jiaotong University; Department of Mechanical and Aerospace Engineering, Program in Applied and Computational Mathematics, and Andlinger Center for Energy and the Environment, Princeton University; Department of Mechanical Engineering, Stanford University; Department of Chemistry, Michigan State University; Advanced Light Source, Lawrence Berkeley National Laboratory; Department of Chemistry-Å ngströ m, Uppsala University; Department of Chemistry-Å ngströ m, Uppsala University; Advanced Light Source, Lawrence Berkeley National Laboratory; Department of Physics, University of Wisconsin Madison; Department of Mechanical and Aerospa; (Energy & environmental science, v.7, 2014, pp.3100-3121)
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998
- Experimental and theoretical studies of the N(<sup>2</sup>D) + H<sub>2</sub> and D<sub>2</sub> reactions
- Nuñ ez-Reyes, Dianailys; Bray, Cé dric; Hickson, Kevin M.; Larré garay, Pascal; Bonnet, Laurent; Gonzá lez-Lezana, Tomá s; Université de Bordeaux, Institut des Sciences Molé culaires; Université de Bordeaux, Institut des Sciences Molé culaires; Université de Bordeaux, Institut des Sciences Molé culaires; Université de Bordeaux, Institut des Sciences Molé culaires; Université de Bordeaux, Institut des Sciences Molé culaires; Instituto de Fí sica Fundamental, CSIC; (Physical chemistry chemical physics : PCCP, v.22, 2020, pp.23609-23617)
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999
- Thermal Decomposition of 2(3<i>H</i>) and 2(5<i>H</i>) Furanones: Theoretical Aspects
- Wü rmel, Judith; Simmie, John M.; Losty, Michelle M.; McKenna, Cathal D.; ; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.119, 2015, pp.6919-6927)
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1000
- The heterogeneous reaction of HNO<sub>3</sub> on mineral dust and γ-alumina surfaces: a combined Knudsen cell and DRIFTS study
- Seisel, Sabine; Bö rensen, Christoph; Vogt, Rainer; Zellner, Reinhard; Institute for Physical and Theoretical Chemistry; Ford Forschungszentrum Aachen; Ford Forschungszentrum Aachen; Institute for Physical and Theoretical Chemistry; (Physical chemistry chemical physics : PCCP, v.6, 2004, pp.5498-5508)
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