검색어 : 통합검색[Studies in physical and theoretical chemistry]
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991
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A theoretical study on anion sensing mechanism of multi-phosphonium triarylboranes: intramolecular charge transfer and configurational changes
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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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992
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Protonation induced shifting of electron-accepting centers in intramolecular charge transfer chromophores: a theoretical study
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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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993
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Fluorescence and solvent-dependent phosphorescence studies of <i>o</i>-nitrobenzaldehyde: A combined experimental and theoretical investigation
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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)
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994
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Photophysical and Theoretical Insights on Fullerene/Zincphthalocyanine Supramolecular Interaction in Solution
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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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995
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Spectroelectrochemical and Theoretical Study of [Si(ttpy) <sub>2</sub> ](PF <sub>6</sub> ) <sub>4</sub> : A Potential Polychromatic Electrochromic Dye
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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)
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996
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Titanium incorporation into hematite photoelectrodes: theoretical considerations and experimental observations
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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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997
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Experimental and theoretical studies of the N(<sup>2</sup>D) + H<sub>2</sub> and D<sub>2</sub> reactions
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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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998
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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
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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)
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999
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The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine−Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution
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Kim, Y.;
Lim, S.;
Kim, Y.;
;
(The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory,
v.103,
1999,
pp.6632-6637)
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1000
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Thermal Decomposition of 2(3<i>H</i>) and 2(5<i>H</i>) Furanones: Theoretical Aspects
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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)