검색어 : 통합검색[Studies in physical and theoretical chemistry]
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961
- Mechanism and Diastereoselectivity of the Photo‐/NHC Cocatalyzed Fluoroacylation of Benzofurans: A Theoretical View
- Li, Zehua; Liu, Jiying; Liu, Jiabin; Bao, Panpan; Jing, Huixian; Chen, Hui; Zhang, Wenjing; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; Institute of Chemistry Henan Academy of Sciences Zhengzhou China; Green Catalysis Center, and College of Chemistry Zhengzhou University Zhengzhou Henan China; (Journal of physical organic chemistry, v.38, 2025, pp.e70007)
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962
- In-depth investigation of the binding of flavonoid taxifolin with bovine hemoglobin at physiological pH: Spectroscopic and molecular docking studies
- Chowdhury, Susmita; Bhuiya, Sutanwi; Haque, Lucy; Das, Suman; Biophysical Chemistry Laboratory, Physical Chemistry Section, Department of Chemistry, Jadavpur University; (Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, v.225, 2020, pp.117513)
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963
- Theoretical investigations of structure and mechanism of the oxygen-evolving complex in PSII
- Lundberg, Marcus; Siegbahn, Per E. M.; Department of Physics; Department of Physics; (Physical chemistry chemical physics : PCCP, v.6, 2004, pp.4772-4780)
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964
- Experimental and Theoretical Study of the OH-Initiated Degradation of Piperazine under Simulated Atmospheric Conditions
- Tan, Wen; Zhu, Liang; Mikoviny, Tomas; Nielsen, Claus J.; Wisthaler, Armin; D’Anna, Barbara; Antonsen, Simen; Stenstrøm, Yngve; Farren, Naomi J.; Hamilton, Jacqueline F.; Boustead, Graham A.; Brennan, Alexander D.; Ingham, Trevor; Heard, Dwayne E.; Section for Environmental Sciences, Department of Chemistry , University of Oslo , P.O. Box 1033, Blindern , NO-0315 Oslo , Norway; Section for Environmental Sciences, Department of Chemistry , University of Oslo , P.O. Box 1033, Blindern , NO-0315 Oslo , Norway; Section for Environmental Sciences, Department of Chemistry , University of Oslo , P.O. Box 1033, Blindern , NO-0315 Oslo , Norway; Section for Environmental Sciences, Department of Chemistry , University of Oslo , P.O. Box 1033, Blindern , NO-0315 Oslo , Norway; Aix Marseille Univ, CNRS, LCE, UMR 7376 , 13331 Marseille , France; Faculty of Chemistry, Biotechnology and Food Science , Norwegian University of Life Sciences , P.O. Box 5003, N-1432 Å s , Norway; Faculty of Chemistry, Biotechnology and Food Science , Norwegian University of Life Sciences , P.O.; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.125, 2021, pp.411-422)
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965
- Synthesis and anti-corrosive potential of Schiff bases derived 4-nitrocinnamaldehyde for mild steel in HCl medium: Experimental and DFT studies
- Odewole, Olufemi A.; Ibeji, Collins U.; Oluwasola, Henry O.; Oyeneyin, Oluwatoba E.; Akpomie, Kovo G.; Ugwu, Chijioke M.; Ugwu, Chinelo G.; Bakare, Temitope E.; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Chemical Sciences, Adekunle Ajasin University; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Pure and Industrial Chemistry, Faculty of Physical Sciences, University of Nigeria; Department of Chemistry and Biochemistry, Caleb University; (Journal of molecular structure, v.1223, 2021, pp.129214)
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966
- Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor–Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations
- Pop, Flavia; Riobé , Franç ois; Seifert, Sabine; Cauchy, Thomas; Ding, Jie; Dupont, Nathalie; Hauser, Andreas; Koch, Marius; Avarvari, Narcis; LUNAM Université , Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH Anjou, 2 bd Lavoisier, 49045 Angers Cedex, France; LUNAM Université , Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH Anjou, 2 bd Lavoisier, 49045 Angers Cedex, France; LUNAM Université , Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH Anjou, 2 bd Lavoisier, 49045 Angers Cedex, France; LUNAM Université , Université d’Angers, CNRS UMR 6200, Laboratoire MOLTECH Anjou, 2 bd Lavoisier, 49045 Angers Cedex, France; Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, 1211 Geneva, Switzerland; Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, 1211 Geneva, Switzerland; Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, 1211 Geneva, Switzerland; Department of Physical Chemistry, University of Geneva, 30 Quai Ernest Ansermet, 1211 Geneva, Switzerland; ; (Inorganic chemistry, v.52, 2013, pp.5023-5034)
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967
- Theoretical insights into the defect performance of the wide bandgap semiconductor BaS
- Chen, Yu; Fan, S. W.; Gao, G. Y.; Hubei Engineering Research Center of Weak Magnetic-field Detection, Department of Physics, China Three Gorges University; Hubei Engineering Research Center of Weak Magnetic-field Detection, Department of Physics, China Three Gorges University; School of Physics, Huazhong University of Science and Technology; (Physical chemistry chemical physics : PCCP, v.25, 2023, pp.11745-11755)
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968
- Hydrogen bonding characteristics of 2-pyrrolidinone: a joint experimental and theoretical study
- Maiti, Kiran Sankar; Samsonyuk, Andriy; Scheurer, Christoph; Steinel, Tobias; Lehrstuhl fü r Physikalische Chemie, Technische Universitä t Mü nchen; Lehrstuhl fü r Theoretische Chemie, Technische Universitä t Mü nchen; Lehrstuhl fü r Theoretische Chemie, Technische Universitä t Mü nchen; Lehrstuhl fü r Physikalische Chemie, Technische Universitä t Mü nchen; (Physical chemistry chemical physics : PCCP, v.14, 2012, pp.16294-16300)
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969
- Theoretical Insights into Electrocatalytic Oxygen Evolution on Se-Doped TiO<sub>2</sub>
- Ekanayake, Niranji Thilini; Mosey, Nicholas J.; Department of Chemistry , Queen’s University , 90 Bader Lane , Kingston , Ontario K7L 3N6 , Canada; (The journal of physical chemistry. C, Nanomaterials and Interfaces, v.128, 2024, pp.16892-16903)
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970
- Identifying the sarco(endo)plasmic reticulum Ca<sup>2+</sup> ATPase (SERCA) as a potential target for hypericin – a theoretical study
- Eriksson, Emma S. E.; Eriksson, Leif A.; Department of Chemistry and Molecular Biology, University of Gothenburg; Department of Chemistry and Molecular Biology, University of Gothenburg; (Physical chemistry chemical physics : PCCP, v.14, 2012, pp.12637-12646)
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