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검색어 : 통합검색[Studies in physical and theoretical chemistry]

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971

A theoretical study of atom ordering in copper–gold nanoalloy clusters

Wilson, Nicholas T.; Johnston, Roy L.; School of Chemical Sciences; School of Chemical Sciences; (Journal of materials chemistry, v.12, 2002, pp.2913-2922)
972

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)
973

Ligand and Substituent Effect on Regium−π Bonding in Cu and Ag π-Conjugated Complexes: A Density Functional Study

Khera, Mayank; Anchal,; Goel, Neetu; Computational and Theoretical Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry , Panjab University , Chandigarh 160014 , India; Computational and Theoretical Chemistry Group, Department of Chemistry & Centre for Advanced Studies in Chemistry , Panjab University , Chandigarh 160014 , India; (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, v.127, 2023, pp.6953-6961)
974

Absolute Surface Step Energies: Accurate Theoretical Methods Applied to Ceria Nanoislands

Kozlov, Sergey M.; Viñ es, Francesc; Nilius, Niklas; Shaikhutdinov, Shamil; Neyman, Konstantin M.; Departament de Quí mica Fí sica and Institut de Quí mica Teò rica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquè s 1, 08028, Barcelona, Spain; Departament de Quí mica Fí sica and Institut de Quí mica Teò rica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquè s 1, 08028, Barcelona, Spain; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany; Departament de Quí mica Fí sica and Institut de Quí mica Teò rica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquè s 1, 08028, Barcelona, Spain; (The journal of physical chemistry letters, v.3, 2012, pp.1956-1961)
975

Experimental and Theoretical Studies of Low‐Energy Penning Ionization of NH3, CH3F, and CHF3

Jachymski, Krzysztof; Hapka, Michał; Jankunas, Justin; Osterwalder, Andreas; Faculty of Physics, University of Warsaw, Pasteura 5, 02-093, Warsaw, Poland; Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland; Institute for Chemical Sciences and Engineering, Ecole Polytechnique Fé dé rale de Lausanne (EPFL), 1015, Lausanne, Switzerland; Institute for Chemical Sciences and Engineering, Ecole Polytechnique Fé dé rale de Lausanne (EPFL), 1015, Lausanne, Switzerland; (Chemphyschem : a European journal of chemical physics and physical chemistry, v.17, 2016, pp.3776-3782)
976

Experimental and theoretical studies of NLO properties of organic–inorganic materials base on p-nitroaniline

Bouchouit, K.; Essaidi, Z.; Abed, S.; Migalska-Zalas, A.; Derkowska, B.; Benali-cherif, N.; Mihaly, M.; Meghea, A.; Sahraoui, B.; Dé partement de Chimie, Faculté des Sciences, Université de Jijel, Algeria; Laboratoire POMA, UMR CNRS 6136, Université d’Angers, 2, Boulevard Lavoisier, 49045 Angers, France; Laboratoire de Couches Minces et Interfaces, Faculté des Sciences, Université de Constantine, 25000 Constantine, Algeria; Department of Physics, Jan Dlugosz University in Czestochowa, al. Armii Krajowej 13/15, Czeý stochowa PL-42201, Poland; Laboratoire POMA, UMR CNRS 6136, Université d’Angers, 2, Boulevard Lavoisier, 49045 Angers, France; Laboratoire des Structures, Proprié té s et Interactions Inter Atomiques (LASPI2A), Centre Universitaire de Khenchela, 40000 Khenchela, Algé rie; Department of Applied Physical Chemistry and Electrochemistry, Faculty of Industrial Chemistry, POLITEHNICA University of Bucharest, Romania; Department of Applied Physical Chemistry and Electrochemistry, Faculty of Industrial Chemistry, POLITEHNICA Uni; (Chemical physics letters, v.455, 2008, pp.270-274)
977

Spectroscopic and theoretical studies of fluorescence effects induced by the ESIPT process in a new derivative 2-Hydroxy-N-(2-phenylethyl)benzamide – Study on the effects of pH and medium polarity changes

Niemczynowicz, Agnieszka; Budziak, Iwona; Kulesza, Sławomir; Gó recki, Andrzej; Makowski, Marcin; Karcz, Dariusz; Starzak, Karolina; Gładyszewska, Boż ena; Podleś ny, Janusz; Piotrowicz-Cieś lak, Agnieszka I.; Matwijczuk, Arkadiusz; Department of Analysis and Differential Equations, Faculty of Mathematics and Computer Science, University of Warmia and Mazury, Olsztyn, Poland; Department of Chemistry, University of Life Sciences in Lublin, Lublin, Poland; University of Warmia and Mazury in Olsztyn, Faculty of Mathematics and Informatics, Chair of Relativistic Physics, Olsztyn, Poland; Department of Physical Biochemistry, Faculty of Biochemistry, Biophysics and Biotechnology of the Jagiellonian University, Krakó w, Poland; Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, Krakó w, Poland; Department of Analytical Chemistry (C1), Faculty of Chemical Engineering and Technology, Cracow University of Technology, Cracow, Poland; Department of Analytical Chemistry (C1), Faculty of Chemical Engineering and Technology, Cracow University of Technology, Cracow, Poland; Department of BioPhysics, University of Life Sciences in Lublin, Lublin, Poland; Institute of Soil Scienc; (PloS one, v.15, 2020, pp.e0229149)
978

Stabilization of Linear C3 by Two Donor Ligands: A Theoretical Study of L‐C3‐L (L=PPh3, NHCMe, cAACMe)**

Gorantla, Sai Manoj N. V. T.; Pan, Sudip; Mondal, Kartik Chandra; Frenking, Gernot; Department of Chemistry, Indian Institute of Technology Madras, Chennai, 600036, India; Fachbereich Chemie, Philipps-Universitä t Marburg, Hans-Meerwein-Straße, 35032, Marburg, Germany; Department of Chemistry, Indian Institute of Technology Madras, Chennai, 600036, India; Fachbereich Chemie, Philipps-Universitä t Marburg, Hans-Meerwein-Straße, 35032, Marburg, Germany; (Chemistry : a European journal, v.26, 2020, pp.14211-14220)
979

Photoinduced charge separation in an oligophenylenevinylene-based Hamilton-type receptor supramolecularly associating two C60-barbiturate guests

Pagona, G.; Stergiou, A.; Gobeze, H. B.; Rotas, G.; D'Souza, F.; Tagmatarchis, N.; Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation; Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation; Department of Chemistry, University of North Texas; Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation; Department of Chemistry, University of North Texas; Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation; (Physical chemistry chemical physics : PCCP, v.18, 2016, pp.811-817)
980

Theoretical Study of N2O Reduction by CO in Fe-BEA Zeolite

Fischer, Gerd; Goursot, Annick; Coq, Bernard; Delahay, Gé rard; Pal, Sourav; UMR 5618 CNRS, Ecole de Chimie, UM1, 8 rue de l'Ecole Normale, 34296 Montpellier, Cé dex 5, France, Fax: (+33) 4-67-16-34-70; UMR 5618 CNRS, Ecole de Chimie, UM1, 8 rue de l'Ecole Normale, 34296 Montpellier, Cé dex 5, France, Fax: (+33) 4-67-16-34-70; UMR 5618 CNRS, Ecole de Chimie, UM1, 8 rue de l'Ecole Normale, 34296 Montpellier, Cé dex 5, France, Fax: (+33) 4-67-16-34-70; UMR 5618 CNRS, Ecole de Chimie, UM1, 8 rue de l'Ecole Normale, 34296 Montpellier, Cé dex 5, France, Fax: (+33) 4-67-16-34-70; Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune-411008, India; (Chemphyschem : a European journal of chemical physics and physical chemistry, v.7, 2006, pp.1795-1801)

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