Publications by authors named "Manuel Temprado"

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Computational Model to Predict Reactivity under Ball-Milling Conditions.
Raúl De Armas, Manuel Temprado, Luis Manuel Frutos

J Chem Theory Comput· October 2025

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Binding of Nitriles and Isonitriles to V(III) and Mo(III) Complexes: Ligand vs Metal Controlled Mechanism.
Taryn D Palluccio, Meaghan E Germain, Marco Marazzi, Manuel Temprado, Jared S Silvia

Inorg Chem· July 2023

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Mechanistic Pathways for NO Elimination from -RSn-O-N═N-O-SnR and for Reversible Binding of CO to RSn-O-SnR (R = Ph, Cy).
Jack V Davis, Mohan M Gamage, Oswaldo Guio, Burjor Captain, Manuel Temprado

Inorg Chem· August 2021

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Molecular Design of Cyclopentadienyl Tantalum Sulfide Complexes.
Manuel Gómez, Juan Ignacio González-Pérez, Cristina Hernández-Prieto, Avelino Martín, Miguel Mena, Manuel Temprado

Inorg Chem· May 2019

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The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties.
María García-Castro, Cristina García-Iriepa, Estefanía Del Horno, Avelino Martín, Miguel Mena, Manuel Temprado

Inorg Chem· April 2019

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Ligand-Directed Reactivity in Dioxygen and Water Binding to cis-[Pd(NHC)(η-O)].
Taryn D Palluccio, Xiaochen Cai, Subhojit Majumdar, Leonardo F Serafim, Neil C Tomson, Manuel Temprado

J Am Chem Soc· January 2018

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Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds.
Wesley J Transue, Alexandra Velian, Matthew Nava, Cristina García-Iriepa, Manuel Temprado

J Am Chem Soc· August 2017

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Thermodynamic, Kinetic, Structural, and Computational Studies of the PhSn-H, PhSn-SnPh, and PhSn-Cr(CO)CMe Bond Dissociation Enthalpies.
Xiaochen Cai, Subhojit Majumdar, George C Fortman, Anjaneyulu Koppaka, Leonardo Serafim, Manuel Temprado

Inorg Chem· October 2016

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Synthesis of novel chiral heterometallic terpene oximates: unusual generation of an aluminium enolate by a cooperative effect.
María Fernández-Millán, Manuel Temprado, Jesús Cano, Tomás Cuenca, Marta E G Mosquera

Dalton Trans· June 2016

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Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.
Anjaneyulu Koppaka, Veeranna Yempally, Lei Zhu, George C Fortman, Manuel Temprado

Inorg Chem· January 2016

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A retro Diels-Alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of P2 transfer to 1,3-dienes, and detection of P2 by molecular beam mass spectrometry.
Alexandra Velian, Matthew Nava, Manuel Temprado, Yan Zhou, Robert W Field

J Am Chem Soc· October 2014

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Role of axial base coordination in isonitrile binding and chalcogen atom transfer to vanadium(III) complexes.
Subhojit Majumdar, Julia M Stauber, Taryn D Palluccio, Xiaochen Cai, Alexandra Velian, Manuel Temprado

Inorg Chem· October 2014

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Functionalization reactions characteristic of a robust bicyclic diphosphane framework.
Daniel Tofan, Manuel Temprado, Subhojit Majumdar, Carl D Hoff, Christopher C Cummins

Inorg Chem· August 2013

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Thermodynamic and kinetic study of cleavage of the N-O bond of N-oxides by a vanadium(III) complex: enhanced oxygen atom transfer reaction rates for adducts of nitrous oxide and mesityl nitrile oxide.
Taryn D Palluccio, Elena V Rybak-Akimova, Subhojit Majumdar, Xiaochen Cai, Megan Chui, Manuel Temprado

J Am Chem Soc· July 2013

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Two-step binding of O2 to a vanadium(III) trisanilide complex to form a non-vanadyl vanadium(V) peroxo complex.
Anthony F Cozzolino, Daniel Tofan, Christopher C Cummins, Manuel Temprado, Taryn D Palluccio

J Am Chem Soc· November 2012

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Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S-Nitrosothiols.
Miguel Ángel Fernández-González, Marco Marazzi, Alberto López-Delgado, Felipe Zapata, Cristina García-Iriepa, Manuel Temprado

J Chem Theory Comput· September 2012

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Modulating nitric oxide release by S-nitrosothiol photocleavage: mechanism and substituent effects.
Marco Marazzi, Alberto López-Delgado, Miguel Angel Fernández-González, Obis Castaño, Luis Manuel Frutos, Manuel Temprado

J Phys Chem A· July 2012

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Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) study.
Rafael Notario, Manuel Temprado, María Victoria Roux, Joel F Liebman

J Phys Chem A· May 2012

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Lewis acid fragmentation of a lithium aryloxide cage: generation of new heterometallic aluminium-lithium species.
Ma Teresa Muñoz, Carmen Urbaneja, Manuel Temprado, Marta E G Mosquera, Tomás Cuenca

Chem Commun (Camb)· November 2011

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Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex.
Xiaochen Cai, Subhojit Majumdar, George C Fortman, Luis Manuel Frutos, Manuel Temprado

Inorg Chem· October 2011

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Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid.
María Victoria Roux, Rafael Notario, Concepción Foces-Foces, Manuel Temprado, Francisco Ros

J Phys Chem A· April 2011

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Oxygen binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-heterocyclic carbene). synthesis and structure of a paramagnetic trans-[Pd(NHC)2(η(1)-O2)2] complex.
Xiaochen Cai, Subhojit Majumdar, George C Fortman, Catherine S J Cazin, Alexandra M Z Slawin, Manuel Temprado

J Am Chem Soc· February 2011

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Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.
Maria Victoria Roux, Manuel Temprado, Pilar Jiménez, Concepción Foces-Foces, Rafael Notario

J Phys Chem A· June 2010

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Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.
María Victoria Roux, Rafael Notario, Concepción Foces-Foces, Manuel Temprado, Francisco Ros

J Phys Chem A· March 2010

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Coordination-mode control of bound nitrile radical complex reactivity: intercepting end-on nitrile-Mo(III) radicals at low temperature.
Meaghan E Germain, Manuel Temprado, Annie Castonguay, Olga P Kryatova, Elena V Rybak-Akimova

J Am Chem Soc· October 2009

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