검색어 : 통합검색[Chemistry Physical and theoretical]
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971
- Endohedral gas adsorption by cucurbit[7]uril: a theoretical study
- Pan, Sudip; Jana, Gourhari; Gupta, Ashutosh; Merino, Gabriel; Chattaraj, Pratim K.; Departamento de Fí sica Aplicada, Centro de Investigació n y de Estudios Avanzados Unidad Mé rida. km 6 Antigua carretera a Progreso. Apdo. Postal 73; Department of Chemistry and Centre for Theoretical Studies, Indian Institute of Technology; Department of Chemistry, Udai Pratap Autonomous College; Departamento de Fí sica Aplicada, Centro de Investigació n y de Estudios Avanzados Unidad Mé rida. km 6 Antigua carretera a Progreso. Apdo. Postal 73; Department of Chemistry and Centre for Theoretical Studies, Indian Institute of Technology; (Physical chemistry chemical physics : PCCP, v.19, 2017, pp.24448-24452)
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972
- Physical properties of minerals and melts
- Shankland, T. J.; ; (Reviews of geophysics and space physics, v.17, 1979, pp.792-802)
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973
- Theoretical study of kinetics of proton coupled electron transfer in photocatalysis
- Giret, Yvelin; Guo, Pu; Wang, Li-Feng; Cheng, Jun; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China; State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, China; (The Journal of chemical physics, v.152, 2020, pp.124705)
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974
- Electrode processes with coupled chemistry. Heterogeneous or homogeneous chemical reaction? The reduction of nitromethane in basic aqueous solution
- Prieto, F.; Webster, R.D.; Alden, J.A.; Aixill, W.J.; Waller, G.A.; Compton, R.G.; Rueda, M.; Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ, UK; (Journal of electroanalytical chemistry, v.437, 1997, pp.183-189)
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975
- The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
- Baerends, E. J.; Gritsenko, O. V.; van Meer, R.; Section of Theoretical Chemistry, VU University; Section of Theoretical Chemistry, VU University; Section of Theoretical Chemistry, VU University; (Physical chemistry chemical physics : PCCP, v.15, 2013, pp.16408-16425)
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976
- A theoretical study of the structural and electronic properties of CdSe/CdS and CdS/CdSe core/shell nanoparticles
- Sarkar, Pranab; Springborg, Michael; Seifert, Gotthard; Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrü cken, Germany; Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrü cken, Germany; Institute for Physical Chemistry and Electrochemistry, Technical University of Dresden, 01062 Dresden, Germany; (Chemical physics letters, v.405, 2005, pp.103-107)
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977
- Experimental and theoretical insights into the supercapacitive performance of interconnected WS<sub>2</sub> nanosheets
- Sengupta, Shilpi; Peters, Silda; Sadhukhan, Tumpa; Kundu, Manab; Electrochemical Energy Storage Laboratory, Department of Chemistry, SRM Institute of Science and Technology; Department of Chemistry, SRM Institute of Science and Technology; Department of Chemistry, SRM Institute of Science and Technology; Electrochemical Energy Storage Laboratory, Department of Chemistry, SRM Institute of Science and Technology; (Physical chemistry chemical physics : PCCP, v.26, 2024, pp.10301-10309)
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978
- Spectral Signatures of Intramolecular Charge Transfer Process in β-Enaminones: A Combined Experimental and Theoretical Analysis
- Misra, Ramprasad; Mandal, Abhijit; Mukhopadhyay, Madhuri; Maity, D. K.; Bhattacharyya, S. P.; Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India, and Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India; Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India, and Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India; Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India, and Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India; Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India, and Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400085, India; Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 7; (The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, v.113, 2009, pp.10779-10791)
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979
- Theoretical Studies on the Photoinduced Rearrangement Mechanism of α‐Santonin
- Chen, Xing; Rinkevicius, Zilvinas; Luo, Yi; Å gren, Hans; Cao, Zexing; ; (Chemphyschem : a European journal of chemical physics and physical chemistry, v.13, 2012, pp.353-362)
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980
- Theoretical study of the dark photochemistry of 1,3-butadiene <i>via</i> the chemiexcitation of Dewar dioxetane
- Farahani, Pooria; Lundberg, Marcus; Lindh, Roland; Roca-Sanjuá n, Daniel; Department of Chemistry-Å ngströ m, Uppsala University; Department of Chemistry-Å ngströ m, Uppsala University; Department of Chemistry-Å ngströ m, Uppsala University; Instituto de Ciencia Molecular, Universitat de Valè ncia; (Physical chemistry chemical physics : PCCP, v.17, 2015, pp.18653-18664)
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