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검색어 : 통합검색[Studies in physical and theoretical chemistry]

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971

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)
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

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)
974

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)
975

Vibrational relaxation of NO (v = 1–16) with NO, N2O, NO2, He and Ar studied by time-resolved Fourier transform infrared emission

Hancock, Gus; Morrison, Marc; Saunders, Mark; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford; (Physical chemistry chemical physics : PCCP, v.11, 2009, pp.8507-8515)
976

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)
977

A Theoretical Study of Surface Reduction Mechanisms of CeO2(111) and (110) by H2

Chen, Hsin-Tsung; Choi, Yong Man; Liu, Meilin; Lin, M. C.; Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, GA 30322, USA, Fax: (+1) 404-727-6586; Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA, Fax: (+1) 404-894-9140; Center for Innovative Fuel Cell and Battery Technologies, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA, Fax: (+1) 404-894-9140; Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, GA 30322, USA, Fax: (+1) 404-727-6586; (Chemphyschem : a European journal of chemical physics and physical chemistry, v.8, 2007, pp.849-855)
978

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)
979

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 = CH3, 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)
980

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)

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