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검색어 : 통합검색[Studies in physical and theoretical chemistry]

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  • 991
    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)
  • 992
    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)
  • 993
    Fluorescence and solvent-dependent phosphorescence studies of <i>o</i>-nitrobenzaldehyde: A combined experimental and theoretical investigation
    Cheng, Shibo; Song, Peng; Yang, Songqiu; Yin, Hongming; Han, Keli; State Key Laboratory of Molecular Reaction Dynamics; State Key Laboratory of Molecular Reaction Dynamics; State Key Laboratory of Molecular Reaction Dynamics; State Key Laboratory of Molecular Reaction Dynamics; State Key Laboratory of Molecular Reaction Dynamics; (Physical chemistry chemical physics : PCCP, v.12, 2010, pp.9067-9074)
  • 994
    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)
  • 995
    Spectroelectrochemical and Theoretical Study of [Si(ttpy) <sub>2</sub> ](PF <sub>6</sub> ) <sub>4</sub> : A Potential Polychromatic Electrochromic Dye
    Peloquin, Derek M.; Bimukhanov, Askhat N.; Aldongarov, Anuar A.; Merkert, Jon W.; Donovan-Merkert, Bernadette T.; Schmedake, Thomas A.; Department of Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, USA; Laboratory of Physical and Quantum Chemistry, L.N. Gumilyov Eurasian National University, Astana 010008, Kazakhstan; Laboratory of Physical and Quantum Chemistry, L.N. Gumilyov Eurasian National University, Astana 010008, Kazakhstan; Department of Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, USA; Department of Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, USA; Department of Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, USA; (Molecules : a journal of synthetic chemistry and natural product chemistry, v.27, 2022, pp.8521)
  • 996
    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)
  • 997
    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)
  • 998
    Role of MLCT States in the Franck-Condon Region of Neutral, Heteroleptic Cu(I)-4<i>H</i>-imidazolate Complexes: A Spectroscopic and Theoretical Study
    Mü ller, Carolin; Schulz, Martin; Obst, Marc; Zedler, Linda; Grä fe, Stefanie; Kupfer, Stephan; Dietzek, Benjamin; Institute of Physical Chemistry , Friedrich Schiller University Jena , Helmholtzweg 4 , 07743 Jena , Germany; Institute of Physical Chemistry , Friedrich Schiller University Jena , Helmholtzweg 4 , 07743 Jena , Germany; Institute of Physical Chemistry , Friedrich Schiller University Jena , Helmholtzweg 4 , 07743 Jena , Germany; Leibniz Institute of Photonic Technology , Albert-Einstein-Straße 9 , 07745 Jena , Germany; Institute of Physical Chemistry , Friedrich Schiller University Jena , Helmholtzweg 4 , 07743 Jena , Germany; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.124, 2020, pp.6607-6616)
  • 999
    The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine&#x2212;Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution
    Kim, Y.; Lim, S.; Kim, Y.; ; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.103, 1999, pp.6632-6637)
  • 1000
    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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