검색어 : 통합검색[Chemistry Physical and theoretical]
총 62,664건 중 1,000건 출력
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961
- Theoretical Work of Preparative Separation
- Chizhkov, V. P.; Ignat'ev, A. A.; ; (Russian journal of physical chemistry, v.74, 2000, pp.241-245)
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962
- Diffractive and reactive scattering of H<sub>2</sub> from Ru(0001): experimental and theoretical study
- Nieto, P.; Farí as, D.; Miranda, R.; Luppi, M.; Baerends, E. J.; Somers, M. F.; van der Niet, M. J. T. C.; Olsen, R. A.; Kroes, G. J.; Departamento de Fí sica de la Materia Condensada, Universidad Autó noma de Madrid; Departamento de Fí sica de la Materia Condensada, Universidad Autó noma de Madrid; Departamento de Fí sica de la Materia Condensada, Universidad Autó noma de Madrid; Theoretical Chemistry, Free University; Theoretical Chemistry, Free University; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University; (Physical chemistry chemical physics : PCCP, v.13, 2011, pp.8583-8597)
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963
- A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS3, ZrSe3 and ZrTe3 Monolayers
- Mortazavi, Bohayra; Shojaei, Fazel; Yagmurcukardes, Mehmet; Makaremi, Meysam; Zhuang, Xiaoying; Chair of Computational Science and Simulation Technology, Department of Mathematics and Physics, Leibniz Universitä t Hannover, Appelstraße 11, 30167 Hannover, Germany; Department of Chemistry, Faculty of Nano and Bioscience and Technology, Persian Gulf University, Bushehr 75169, Iran; Department of Photonics, Izmir Institute of Technology, 35430 Izmir, Turkey; Independent Researcher, Whitehall, MI 49461, USA; Chair of Computational Science and Simulation Technology, Department of Mathematics and Physics, Leibniz Universitä t Hannover, Appelstraße 11, 30167 Hannover, Germany; (Energies, v.15, 2022, pp.5479)
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964
- Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations
- Martins, C.R.; Ducati, L.C.; Tormena, C.F.; Rittner, R.; Physical Organic Chemistry Laboratory, Chemistry Institute, State University of Campinas, Caixa Postal 6154; 13084-971 Campinas, SP, Brazil; (Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, v.72, 2009, pp.1089-1096)
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965
- Hybrid theoretical models for molecular nanoplasmonics
- Coccia, E.; Fregoni, J.; Guido, C. A.; Marsili, M.; Pipolo, S.; Corni, S.; Dipartimento di Scienze Chimiche e Farmaceutiche, Universit di Trieste 1 , via L. Giorgieri 1, 34127 Trieste, Italy; Dipartimento di Scienze Fisiche, Informatiche e Matematiche, Universit di Modena e Reggio Emilia 2 , via Campi 213/A, 41125 Modena, Italy; Dipartimento di Scienze Chimiche, Universit di Padova 4 , via F. Marzolo 1, 35131 Padova, Italy; Dipartimento di Scienze Chimiche, Universit di Padova 4 , via F. Marzolo 1, 35131 Padova, Italy; Université de Lille, CNRS, Centrale Lille, ENSCL, Université d’Artois UMR 8181-UCCS Unité de Catalyse et Chimie du Solide 5 , F-59000 Lille, France; Istituto Nanoscienze-CNR 3 , via Campi 213/A, 41125 Modena, Italy; (The Journal of chemical physics, v.153, 2020, pp.200901)
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966
- On the Theoretical Quantification of Radii of Atoms in Molecules
- Alibakhshi, Amin; Schä fer, Lars V.; ; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.128, 2024, pp.6819-6823)
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967
- 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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968
- Theoretical investigation on the binding of alkyl halides and cyclohexyl halides in water-soluble cavitands
- Petsalakis, Ioannis D.; Tzeli, Demeter; Theodorakopoulos, Giannoula; Rebek Jr., Julius; Theoretical and Physical Chemistry Institute, The National Hellenic Research Foundation; Theoretical and Physical Chemistry Institute, The National Hellenic Research Foundation; Theoretical and Physical Chemistry Institute, The National Hellenic Research Foundation; Center for Supramolecular Chemistry & Catalysis and Department of Chemistry, College of Science, Shanghai University; (Chemical physics letters, v.728, 2019, pp.174-180)
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969
- Electrochemical Reduction of Phosphaallenes: Electron Spin Resonance and Theoretical Studies
- Chentit, Mostafa; Sidorenkova, Helena; Geoffroy, Michel; Ellinger, Yves; Department of Physical Chemistry, University of Geneva, Geneva, Switzerland; Department of Physical Chemistry, University of Geneva, Geneva, Switzerland; Department of Physical Chemistry, University of Geneva, Geneva, Switzerland; Ecole Normale Superieure, Paris, France; (Phosphorus, sulfur, and silicon and the related elements, v.147, 1999, pp.95-95)
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970
- Rotational alignment effects in NO(X) + Ar inelastic collisions: A theoretical study
- Brouard, M.; Chadwick, H.; Eyles, C. J.; Hornung, B.; Nichols, B.; Aoiz, F. J.; Jambrina, P. G.; Stolte, S.; de Miranda, M. P.; University of Oxford 1 The Department of Chemistry, , The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom; University of Oxford 1 The Department of Chemistry, , The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom; University of Oxford 1 The Department of Chemistry, , The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom; University of Oxford 1 The Department of Chemistry, , The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom; University of Oxford 1 The Department of Chemistry, , The Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ, United Kingdom; Universidad Complutense 2 Departamento de Quí mica Fí sica, Facultad de Quí mica, , 28040 Madrid, Spain; Universidad Complutense 2 Departamento de Quí mica Fí sica, Facultad de Quí mi; (The Journal of chemical physics, v.138, 2013, pp.104309)
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