Octavio Novaro
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Mexican theoretical physicist laureated with UNESCO Science Prize
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Why Is Octavio Novaro Influential?
(Suggest an Edit or Addition)According to Wikipedia, Octavio Augusto Novaro Peñalosa was a prominent theoretical physicist specialized in theoretical catalysis, physical chemistry, biophysics and geophysics. He received the National Prize for Arts and Sciences in 1983 and became the first Mexican researcher to receive the UNESCO Science Prize in 1993. Since 1995 he was also one of the forty lifetime members of The National College.
Octavio Novaro's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Aluminum Local Environment and Defects in the Crystalline Structure of Sol−Gel Alumina Catalyst (1999) (211)
- Effect of hydrolysis catalyst on the Ti deficiency and crystallite size of sol-gel-TiO 2 crystalline phases (1995) (150)
- Synthesis and Characterization of Sol−Gel Hydrotalcites. Structure and Texture† (1996) (128)
- Ab initio study of small gold clusters (1999) (115)
- Characterizations of the thermal decomposition of brucite prepared by sol-gel technique for synthesis of nanocrystalline MgO (1998) (106)
- Synthesis and Characterization of Sol–Gel Pt/TiO2Catalyst (1996) (101)
- Preparation of sol-gel sulfated ZrO2SiO2 and characterization of its surface acidity (1995) (100)
- X-Ray Diffraction, FTIR, and NMR Characterization of Sol–Gel Alumina Doped with Lanthanum and Cerium (1997) (99)
- Ni/Ce-MCM-41 mesostructured catalysts for simultaneous production of hydrogen and nanocarbon via methane decomposition (2010) (94)
- Theoretical study on a reaction pathway of Ziegler–Natta‐type catalysis (1978) (90)
- Effects of structural defects and acid–basic properties on the activity and selectivity of isopropanol decomposition on nanocrystallite sol–gel alumina catalyst (1999) (83)
- Tetragonal Nanophase Stabilization in Nondoped Sol–Gel Zirconia Prepared with Different Hydrolysis Catalysts (1998) (82)
- Effect of Copper Precursor on the Stabilization of Titania Phases, and the Optical Properties of Cu/TiO2 Prepared with the Sol−Gel Technique (1997) (69)
- On the Convergence of Multibody Expansions for Short Range Intermolecular Forces. A SCF Calculation of He3 and He4 Systems (1972) (68)
- Non-additive effects in small gold clusters (1999) (61)
- Possible resonance effect in the distribution of earthquake damage in Mexico City (1987) (55)
- Structural Defects and Acidic and Basic Sites in Sol-Gel MgO (1997) (55)
- Nonadditive effects in small beryllium clusters (1977) (52)
- Phase composition, reducibility and catalytic activity of Rh/zirconia and Rh/zirconia-ceria catalysts (2005) (51)
- The importance of non-additive terms in the interaction energy of tetrahedral Be4 clusters (1976) (51)
- Effects of the surface structure and experimental parameters on the isopropanol decomposition catalyzed with sol–gel MgO (1999) (48)
- A molecular orbital study of the hydration of ions. The role of nonadditive effects in the hydration shells around Mg2+ and Ca2+ (1982) (46)
- Synthesis and Characterization of TiO2-MgO Mixed Oxides Prepared by the Sol-Gel Method † (1999) (45)
- Mechanism of oligomerization of α-olefins with Ziegler-Natta catalysts (1976) (44)
- A comparative theoretical study of stable geometries and energetic properties of small silver clusters (1994) (44)
- Cationic and anionic vacancies in the crystalline phases of sol-gel magnesia-alumina catalysts (1999) (43)
- Convergence of multibody expansions for alkaline earth metals. Contrast between magnesium and beryllium clusters (1979) (42)
- Synthesis, characterization and catalytic activity in the reduction of NO by CO on alumina-zirconia sol-gel derived mixed oxides (1999) (41)
- Some theoretical studies on hydrogen molecule capture by platinum atoms (1986) (40)
- Theoretical studies of photoexcited state Cu atom reactions. I. Excited state responsible for H2 capture (1984) (40)
- Magnesia Synthesis via Sol−Gel: Structure and Reactivity† (1996) (39)
- Coke deactivation of Pd/H-mordenite catalysts used for C5/C6 hydroisomerization (2000) (39)
- Non-additive forces in atomic clusters (1995) (36)
- Determination of the mechanism of cyclohexane dehydrogenation over Pt- and PtPd-supported catalysts through theoretical and experimental studies (1978) (35)
- Free Radical Formation in ZrO2–SiO2Sol–Gel Derived Catalysts (1999) (34)
- Mesoporous structure, surface acidity and catalytic properties of Pt/Zr–MCM-41 catalysts promoted with 12-tungstophosphoric acid (2008) (34)
- Effect of pH on the incorporation of platinum into the lattice of sol–gel titania phases (1999) (34)
- Structure and Composition of the Nanocrystalline Phases in a MgO−TiO2 System Prepared via Sol−Gel Technique (1999) (33)
- Theoretical studies of the photexcited state Cu atom reactions. II. The Cu*+H2→CuH+H photochemical reaction (1984) (32)
- Resonant response models for the Valley of Mexico–I; the elastic inclusion approach (1989) (32)
- Zirconia/Silica Sol−Gel Catalysts: Effect of the Surface Heterogeneity on the Selectivity of 2-Propanol Decomposition† (1997) (31)
- The role of nonadditive effects in the second hydration shell of Mg2+ and Ca2+. A molecular orbital study of the three‐body potential energy surface (1984) (31)
- Interaction of methane molecules (1980) (28)
- Study of the Keggin structure and catalytic properties of Pt-promoted heteropoly compound/Al-MCM-41 hybrid catalysts (2009) (28)
- A comparative study of species N3 and P3 (1982) (27)
- Restricted Hartree-Fock calculations on the interaction of an olefine with a titanium compound (1977) (24)
- Theoretical study of the activation of methane by photoexcited zinc atoms (1994) (24)
- Nodal structure of the three‐body nonadditive interaction (1977) (23)
- Role of excited atomic states in the active sites of transition metals for oxidative and reductive catalytic processes (1985) (23)
- Intrinsically Formed Trivalent Titanium Ions in Sol-Gel Titania (2004) (23)
- Nonadditivity and the stability of Ag3. A multireference configuration interaction study (1990) (23)
- Hydrogen spillover and structural defects in a PdO/zirconia nanophase synthesized through a surfactant-templated route (2006) (22)
- CRYSTALLINE PHASES OF SOL-GEL ZRO2 IN THE ZRO2-SIO2 SYSTEM : DIFFERENTIAL THERMAL ANALYSIS AND ELECTRON MICROSCOPY STUDIES (1995) (21)
- Seismic coupling of interface modes in sedimentary basins: A recipe for disaster (1999) (21)
- Resonant response models for the Valley of Mexico—II. The trapping of horizontal P waves (1993) (21)
- Theoretical study on a reaction pathway for the catalytic hydrogenation of olefins by palladium complexes (1982) (21)
- Molecular dynamics study of the Ag6 cluster using an ab initio many-body model potential (1998) (20)
- Earthquake damage (1987) (20)
- Copper Precursor Effect on Reducibility and Titania Phases Concentration of Sol–Gel Cu/TiO2Catalyst (1999) (20)
- ZrO2−SiO2 mixed oxides as supports for platinum catalysts (1994) (19)
- The Ne3 nonadditive potential energy surface (1976) (19)
- Non-additivity of intermolecular forces in He3 within the SCF LCAO MO approximation (1971) (19)
- Sol-Gel Ru/SiO2-Catalysts: Theoretical and Experimental Determination of the Ru-in-Silica Structures (1993) (18)
- On the structure of titanium-aluminum catalytic complexes (1976) (18)
- A theoretical study of the photochemistry of methylcopper hydride: II. Formation and stability of the HCuCH3 intermediate complex (1991) (18)
- Use of pseudopotentials for the analysis of the non-additivity of short-range intermolecular interactions (1979) (17)
- Preparation of a complete series of single phase homogeneous sol-gels of Al2O3 and MgO for basic catalysts (1997) (17)
- Pseudopotential SCF study of the palladium atom-ethylene system (1980) (17)
- Theoretical Study of the Geometric Structures and Energetic Properties of Anionic Clusters. Ag; (n = 2 to 6) (1993) (17)
- Harmonic Oscillator in Atomic and Molecular Physics (1968) (17)
- O(4)andU(3)Symmetry Breaking in the2s−2pShell (1971) (16)
- Nanocrystalline tetragonal zirconia stabilized with yttrium and hydroxyls (1999) (16)
- Pt Effect on the Particle Morphology and Crystalline Structure of Pt/MgO Catalysts (1995) (16)
- Study of collective effects in the stability and chemisorption properties of finite lithium clusters (1984) (16)
- UHF study of multibody effects in small lithium clusters and their relevance to atom-surface interactions (1981) (16)
- On the stability of the palladium dihydride molecules (1986) (16)
- Theoretical study of hydrogen‐bonded trimers. Three‐body nonadditive interactions between ammonia molecules (1981) (16)
- Theoretical Study on the CuH (copper hydride) + H (atomic hydrogen) -> Cu (copper) + H2 (molecular hydrogen) reaction pathway (1986) (15)
- Short range non-additive effects in the neon trimer (1975) (15)
- Mcscf+mrci study of the interaction of zn, zn+ and zn2+ with the hydrogen molecule (1991) (15)
- Multibody analysis of potential energy surfaces for first‐ and second‐row tetramers. II. The cases of O4 and S4 (1984) (15)
- Approximate symmetry of the periodic table (1972) (14)
- On the rightful place for He within the periodic table (2008) (13)
- Physicochemical characterization of functionalized-nanostructured-titania as a carrier of copper complexes for cancer treatment (2014) (13)
- Two-dimensional model for site-effect studies of microtremors in the San Fernando Valley (1990) (13)
- Note on the convergence of multibody expansion for short range intermolecular forces (1974) (13)
- Role of three‐body interactions in trimer binding (1977) (12)
- Three‐body potential energy terms for methane trimers (1981) (12)
- Li/MgO sol-gel catalysts (1994) (12)
- Multibody analysis of potential energy surfaces for first‐ and second‐row tetramers. I. The tetrahedral structures of P4 and N4 (1984) (11)
- Surfactant-assisted synthesis of defective zirconia mesophases and Pd/ZrO2: Crystalline structure and catalytic properties (2008) (11)
- Ag/TiO2-SiO2 Sol Gel Nanoparticles to use in Hospital-Acquired Infections(HAI) (2015) (11)
- Molecular orbital study of metal dihydride complexes: SCF and CI studies of Li-, Cu-, Pd-, Ag- and Pt-H2 systems (1986) (11)
- Non-additive interactions in liquid helium solvent effects (1979) (11)
- Acidity of tungstophosphoric acid-zirconia catalysts prepared by the sol-gel method (1999) (10)
- Electronic structure of the {Pd Cl4}2- ion (1982) (10)
- A comparative study of three-body terms in ozone and thiozone (1984) (10)
- Variational and perturbational CI study of the Pd-C2H4 molecule (1987) (10)
- Activation of the hydrogen bond by transition metals (1990) (10)
- An ab initio study of platinum hydrogen interaction (2006) (10)
- On the hydrogenation of olefins with tetrachloro palladate catalysts: A molecular orbital study of the reaction pathway (1977) (10)
- Quenching of excited 1P1 state atomic zinc by molecular nitrogen: A matrix-isolation spectroscopy/quantum chemical calculation study (2001) (10)
- Ab initio studies on the Ziegler-Natta catalytic process (1992) (10)
- Generation of inhomogeneous P waves in a layered medium (1993) (10)
- Nonadditive effects in metal clusters and chemisorption. Pseudopotential study of palladium clusters (1980) (9)
- Novel doorways and resonances in large-scale classical systems (2011) (9)
- On the Role of Calcination Temperature in Pt-SO42−/ZrO2−Al2O3 Preparation and Catalytic Behaviors During the n-Hexane Hydroisomerization (2008) (9)
- Ab initio SCF MO study of hydrogen bonds between H2S and H2O molecules (1979) (9)
- Nonadditive interactions and the relative stability of neutral and anionic silver clusters (1995) (9)
- On a geometrical realization of the Aufbau scheme (1973) (9)
- The Nature of the Active-Site of Oxychlorination Catalysts (CuCl2/Al2O3) Through Experimental Studies (1981) (8)
- Sol-Gel Silica Matrix as Reservoir for Controlled Release of Paracetamol: Characterization and Kinetic Analysis (2016) (8)
- Ab initio model potentials and their application to the thermal stability of metal clusters (1997) (8)
- Potential Energy Surfaces for Reactions of X Metal Atoms (X = Cu, Zn, Cd, Ga, Al, Au, or Hg) with YH4 Molecules (Y = C, Si, or Ge) and Transition Probabilities at Avoided Crossings in Some Cases (2012) (8)
- The effect of hydrolysis initiator on the phase formation in sulfated sol–gel zirconia (2000) (8)
- Release of copper complexes from a nanostructured sol–gel titania for cancer treatment (2015) (8)
- Spectroscopic Studies of Sol−Gel Li/MgO Catalysts (1999) (7)
- Importance of non-additive effects on chemisorption and catalysis: Part II. Activation of hydrogen by copper in its ground and excited atomic states (1987) (7)
- Preparation and characterization of kynurenic acid occluded in sol-gel silica and SBA-15 silica as release reservoirs (2014) (7)
- On carbon monoxide insertion reactions a molecular orbital analysis of the reaction pathway (1980) (7)
- O(4) and U(3) symmetry breaking in the second row of the periodic table (1971) (7)
- Transition probabilities on Ga(P2,S2,andP2)+CH4 reactions (2007) (7)
- Preparation and Characterization of Antiepileptic Drugs Encapsulated inSol-Gel Titania Nanoparticles as Controlled Release System (2015) (7)
- Heavy water: properties, production and analysis (1997) (7)
- On the importance of multi - body intermolecular energies in cluster formation, solvent effects, bulk properties of condensed matter and surface adsorption (1980) (7)
- Group theoretical aspects of the periodic table of the elements (1989) (6)
- Hydrolysis, Condensation, and Tetragonal Phase Formation in Sol-Gel Zirconia Prepared with Electron-Irradiated Alkoxide Solutions (2000) (6)
- THE PSEUDO-ATOM : A SOLUBLE MANY BODY PROBLEM (1970) (6)
- The first metals in Mendeleiev’s table: further arguments to place He above Ne and not above Be (2014) (6)
- Role of excited states of maximal d-shell occupancy in the Ru + H2 reaction (1992) (6)
- On the chemisorption of molecular hydrogen on Be clusters (1979) (6)
- Theoretical study of β-hydrogen transfer in ziegler-natta oligomerization (1975) (6)
- Theoretical study of the Li(2s12S) + H2 ⇌ LiH2 reaction (1985) (6)
- Theoretical study of three-body nonadditive interactions for the H2S-(H2O)2 system (1983) (6)
- Separation and evaluation of first-order-perturbation intermolecular energy-terms in LCAO MO SCF calculations. Application to the He2 system (1971) (6)
- Importance of nonadditive collective effects on chemisorption and catalysis: Part I. Interactions of lithium atom clusters with hydrogen (1985) (6)
- Landau–Zener theory for avoided crossings applied to the gallium–silane reactions (2007) (6)
- Transition probabilities found for M + CH4 reactions (M = zinc, copper) (2008) (5)
- Is there a helium molecule (1975) (5)
- Mössbauer spectroscopy and X-ray diffraction studies of Mg–Al–Fe–O mixed spinel sulphur transfer catalysts (1998) (5)
- Use of the unrestricted-Hartree-Fock method in the study of clusters of metal atoms (1984) (5)
- Nitrogen molecule activation by excited states of copper (1990) (5)
- Solvent effects of liquid helium on He2 (1976) (5)
- L-DOPA stabilization on sol–gel silica to be used as neurological nanoreservoirs: Structural and spectroscopic studies (2015) (5)
- Experimental and theoretical studies of tetraethoxysilane gelation doped with Mn (II) (1992) (4)
- Comment on the group theoretical justification of the aufbau scheme (2009) (4)
- Experimental and theoretical results on palladium-catalyzed hydrogenation reactions (1991) (4)
- Coupled modes at interfaces: A review (2002) (4)
- Diatomic molecule of copper. An all-electron ab initio self-consistent-field—configuration-interaction study of Cu 2 (1982) (4)
- TiO 2 Nanophases Formed Using the Sol-Gel Technique (1995) (3)
- Test of the many-electron theory of atoms in an exactly solvable model (1972) (3)
- Oxidative Coupling of Methane Over Sol-Gel Magnesium Oxide Catalysts: Effect on Selectivity to Olefin Formation (1993) (3)
- Characterization of structure and combustion behavior of the coke Formed on a hydroisomerization catalyst (2001) (3)
- The first metals in Mendeleiev’s Table: Part II. A new argument against the placement of hydrogen atop the alkali metal column (2014) (3)
- A theoretical approach to the photochemical activation of matrix isolated aluminum atoms and their reaction with methane. (2010) (3)
- Comment on “The origin of long coda observed in the lake-bed strong-motion records of Mexico City” by Shri Krishna Singh and Mario Ordaz (1994) (3)
- Theoretical study of the interaction of Ga. Ga+, and Ga2+ with the hydrogen molecule (1992) (3)
- Some comments on the stability of Cu 3 : Ab initio self-consistent-field molecular-orbital calculations (1982) (3)
- Gaussian-type bases for the calculation of the interaction energy between neon atoms (1976) (3)
- Inclusion of FeCl3 in Sol-Gel TiO2: Spectroscopic Studies (2015) (3)
- Bridge bond between potential energy surfaces and fuel cells on Pt-H2 interaction (2006) (3)
- A theoretical study of the elimination process of methane from a platinum complex (1982) (3)
- Transition probabilities for the Au ((2)S, (2)D, and (2)P) with SiH(4) reaction. (2010) (3)
- Avoided crossings in metal (M)–gas (X) reactions (M = Hg, and X = SiH4, GeH4) (2010) (3)
- Nonadditive effects on the stability of Be3: A benchmark CASSCF + averaged quadratic coupled cluster study of the equilateral and linear symmetrical configurations (2012) (3)
- Ab initio molecular orbital study of the catalytic exchange reaction between hydrogen and sodium amide (1979) (3)
- On The Test of Different Atomic Exchange Functionals (1995) (3)
- Comment on: ‘Can horizontal P waves be trapped and resonate in a shallow sedimentary basin?’ by F. J. Sánchez-Sesma and F. Luzón (1997) (2)
- Four-body terms in multibody expansions for noble gas clusters (2009) (2)
- MODEL HAMILTONIAN FOR THE PERIODIC TABLE. (1971) (2)
- Validity of O(4) symmetry in 2nd row atoms (1970) (2)
- Cu/TiO2-SiO2 Nanostructured Materials for Brain Cancer Treatment (2014) (2)
- Study of intermediate species involved in the formation of acrylonitrile—I: Energies and atomic populations in the CNDO/2 approximation (1972) (2)
- Development of A Cellular Hepatocarcinoma Animal Model for the Evaluation of Pt(acac) 2 /TiO 2 Nanoparticles Effect (2014) (2)
- SIZE EFFECTS AND THE ROLE OF NONADDITIVE FORCES IN NEUTRAL AND ANIONIC SILVER-CLUSTER STABILITY (1996) (2)
- A theoretical study of the homogeneous catalysis of the D2-H2O exchange by ruthenium chloride complexes (1978) (2)
- Deactivation by Coking (2004) (2)
- Study of intermediate species involved in the formation of acrylonitrile—II : Charge and spin-polarizations and their relation to chemical structure and activity☆ (1972) (2)
- Nonadditive Effects in Small Metal and Polyatomic Molecular Clusters (1998) (2)
- Theoretical study of the CuRu+H2 molecular interaction (2001) (2)
- Transition probabilities on Ga(2P,2S, and 2P)+CH4 reactions. (2007) (2)
- Non-additivity of intermolecular forces in helium and beryllium clusters (1996) (2)
- The Effect of sulfating on the Crystalline Structure of Sol-Gel Zirconia Nanophases (1996) (2)
- Histology Study of Wistar Rats Implanted With and Without C6 Cells andthe Effect of NPt-Cu Nanoparticles (2015) (1)
- A CI pseudopotential-based description of the low-lying states of Ag O2 (1990) (1)
- Spectroscopic characterization of sol–gel silica obtained by electron irradiation (1999) (1)
- Activity of Closed d-Shells in Noble Metal Atoms (2005) (1)
- Potential energy surface for the Pd-H2 system: Comparison with matrix isolation experiments (1991) (1)
- Generalized statistical approach to the study of interatomic interactions (1989) (1)
- New copper chemistry, stability and reactivity of cu atoms and clusters through theoretical and experimental studies (1982) (1)
- Spectroscopic study of catalysts derived from Li/MgO sol-gel (1994) (1)
- A theoretical study of the photochemistry of methylcopper hydride. Activation of the carbon-hydrogen bond (2009) (1)
- Multibody effects in intermolecular interactions and reaction pathways for catalytic processes. Part I. Jean-Pierre Daudey’s contributions to mexican science (2009) (0)
- Effect of the virial theorem on Hartree–Fock wave functions (1976) (0)
- Role of Excited Atomic States in the Active Sites of Transition Metals for Oxidative and Reductive Catalytic Processes. (2002) (0)
- Crystalline phases of zirconia prepared by sol‐gel and studied by electron microscopy (2008) (0)
- On calculations of potential energy surfaces by the rhf and uhf methods. The lithium diatomic molecule (1983) (0)
- Activation of small molecules by transition metal atoms: theoretical interpretation of low-temperature experiments with Cu, Pd, and Pt atoms (1989) (0)
- TIIE PSEUDO ATml: A D1STOHTED IMAGE OF ATOMIC SYSTr~IS (2008) (0)
- Symmetries of the periodic system (2010) (0)
- Pseudo atom: a distorted image of atomic systems (1973) (0)
- Crystalline Structure and Morphology of the Phases in MgO, TiO2 and ZrO2 Prepared by the Sol-Gel Technique (1995) (0)
- CALOJLA1l0N OF SOME FIRST-{)RDER PERlURBAllVE TERMS IN lHE INTERACTION BETWEEN MOLEOJLES (1971) (0)
- On the Stability of the PdH2Molecule. (1986) (0)
- EXPERIMENTAL AND THEORETICAL RESULTS ON PALLADIUM-CATALYZED HYDROGENATION REACTIONS 1 (0)
- AB INITIO SCF MO STUDY OF HYDROGEN BONDS BETWEEN HYDROGEN SULFIDE AND WATER MOLECULES (1979) (0)
- The first metals in Mendeleiev’s Table: Part II. A new argument against the placement of hydrogen atop the alkali metal column (2013) (0)
- Importance of the excited states of transition metal atoms for catalytic and photocatalytic processe (1993) (0)
- The first metals in Mendeleiev’s table: further arguments to place He above Ne and not above Be (2012) (0)
- Potential Energy Surfaces for Reactions of X Metal Atoms (X: Cu, Zn, Cd, Ga, Al, Au, or Hg) with YH4 Molecules (Y: C, Si, or Ge) and Transition Probabilities at Avoided Crossings in Some Cases (2012) (0)
- Symmetry-Avoided Crossings and their Role in the Catalytic Activity of Transition Metals (1992) (0)
- Three‐body nonadditive effects for hydrogen bonded water molecules: SCF study of hydrated species including H2S and various metal ions (1983) (0)
- Ab initio SCF MO study of hydrogen bonds between H2S and H2O molecules (1979) (0)
- Hartree--Fock expectation values (1973) (0)
- Doorway states and billiards (2010) (0)
- NON-INVARIANCE GROUPS OF DYNAMICAL PROBLEMS. (1969) (0)
- Solvent effects of liquid hel ium on He 2 t (0)
- Doorway States in Classical Physics (1992) (0)
- Efectos no-aditivos en cúmulos de átomos metálicos y su relación a la quimisorción (1981) (0)
- Multibody effects in intermolecular interactions and reaction pathways for catalytic processes. Part II the contributions of Sidonio Castillo (2009) (0)
- A MODEL HA\lILTONIA\I FOR 'IlIE PERIODlC TABLE (1971) (0)
- ON THE HYDROGENATION OF OLEFINS WITH TETRACHLOROPALLADATE CATALYSTS. A MOLECULAR ORBITAL STUDY OF THE REACTION PATHWAY (1977) (0)
- Theory and Experiment of Photoactivation of Catalytic Sites and Active Site-Support Interactions (1993) (0)
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