검색어 : 통합검색[Studies in physical and theoretical chemistry]
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961
- 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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962
- 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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963
- 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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964
- 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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965
- 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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966
- 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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967
- 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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968
- The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH<sub>3</sub>, HO) Systems
- Csorba, Benjá min; Szabó , Pé ter; Gó ger, Szabolcs; Lendvay, Gyö rgy; Institute of Materials and Environmental Chemistry , Research Centre for Natural Sciences , Magyar tudó sok krt. 2. , H-1117 Budapest , Hungary; Institute of Materials and Environmental Chemistry , Research Centre for Natural Sciences , Magyar tudó sok krt. 2. , H-1117 Budapest , Hungary; Institute of Materials and Environmental Chemistry , Research Centre for Natural Sciences , Magyar tudó sok krt. 2. , H-1117 Budapest , Hungary; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.125, 2021, pp.8386-8396)
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969
- Interaction between Ca Ions and Poly(acrylic acid) Chains in Macro-Defect-Free Cements: A Theoretical Study
- Bonapasta, Aldo Amore; Buda, Francesco; Colombet, Pierre; Consiglio Nazionale delle Ricerche, Istituto di Chimica dei Materiali (ICMAT), Via Salaria Km. 29.5, CP 10, 00016 Monterotondo Scalo, Italy; Department of Physical and Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands; CTG Italcementi Group, Via Camozzi 124, 24121 Bergamo, Italy; (Chemistry of materials : a publication of the American Chemical Society, v.13, 2001, pp.64-70)
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970
- Photophysical studies of formic acid in the VUV. Absorption spectrum in the 6–22 eV region
- Leach, Sydney; Schwell, Martin; Dulieu, Francois; Chotin, Jean-Louis; Jochims, Hans-Werner; Baumgä rtel, Helmut; LERMA; LERMA; LERMA; LERMA; Institut fü r Physikalische und Theoretische Chemie der Freien Universitä t Berlin; Institut fü r Physikalische und Theoretische Chemie der Freien Universitä t Berlin; (Physical chemistry chemical physics : PCCP, v.4, 2002, pp.5025-5039)
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