Lista de obras - David Dixon - Dominio Público Uruguay

A Computational Assessment of Actinide Dioxide Cations AnO22+ for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]2

scientific article published on 26 March 2020

Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material.

artículo científico publicado en 2017

Acidity of M(VI)O2(OH)2 for M = Group 6, 16, and U as Central Atoms.

artículo científico publicado en 2017

Activation of Water by Pentavalent Actinide Dioxide Cations: Characteristic Curium Revealed by a Reactivity Turn after Americium

scientific article published on 26 September 2019

Benchmark-Quality Atomization Energies for BeH and BeH2.

artículo científico publicado en 2017

Characterization of Carbenes via Hydrogenation Energies, Stability, and Reactivity: What's in a Name?

artículo científico publicado en 2017

Computational Study of Molecular Hydrogen Adsorption over Small (MO2) n Nanoclusters (M = Ti, Zr, Hf; n = 1 to 4).

artículo científico publicado en 2018

Crystallographic evidence of Watson-Crick connectivity in the base pair of anionic adenine with thymine

artículo científico publicado en 2020

Dehydration of UO2Cl2·3H2O and Nd(NO3)3·6H2O with a Soft Donor Ligand and Comparison of Their Interactions through X-ray Diffraction and Theoretical Investigation

scientific article published on 10 February 2020

Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

artículo científico publicado en 2018

Die entscheidende Rolle von Sb₂F₁₀ bei der chemischen Synthese von F₂

artículo científico publicado en 2023

Electronic Structure Predictions of the Energetic Properties of Tellurium Fluorides

scientific article published on 16 January 2019

Electronic Structures of Small (RuO2)n (n = 1-4) Nanoclusters and Their Anions and the Hydrolysis Reactions with Water.

artículo científico publicado en 2017

Elucidation of Bottom-Up Growth of CaCO3 Involving Prenucleation Clusters from Structure Predictions and Decomposition of Globally Optimized (CaCO3)n Nanoclusters

scientific article published on 08 April 2020

Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers.

artículo científico publicado en 2017

Energetics of CO2- in Aqueous Solution

artículo científico publicado en 2019

Experimental and Computational Study of the Gas-Phase Acidities of Acidic Di- and Tripeptides

artículo científico publicado en 2019

Experimental and Computational Study of the Structure, Steric Properties, and Binding Equilibria of Neopentylphosphine Palladium Complexes

artículo científico publicado en 2020

Formation and Characterization of Homoleptic Thorium Isocyanide Complexes.

artículo científico publicado en 2017

Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices

scientific article published on 11 September 2019

Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium

artículo científico publicado en 2015

Hydrolysis of Metal Dioxides Differentiates d-block from f-block Elements: Pa(V) as a 6d Transition Metal; Pr(V) as a 4f "Lanthanyl"

artículo científico publicado en 2020

Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules

artículo científico publicado en 2019

Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon

artículo científico publicado en 2017

Infrared spectra of H2ThS and H2US in noble gas matrixes: enhanced H-An-S covalent bonding

artículo científico publicado en 2013

Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands ⬇️

artículo científico publicado el 17 de agosto de 2012

Laser-Ablated U Atom Reactions with (CN)2 to Form UNC, U(NC)2, and U(NC)4: Matrix Infrared Spectra and Quantum Chemical Calculations

artículo científico publicado en 2017

Matrix Infrared Spectra and Theoretical Studies of Thorium Oxide Species: ThOx and Th2Oy ⬇️

artículo científico publicado el 16 de noviembre de 2011

Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide−Methylene Complexes CH2LnF2 with Single Ln−C Bonds ⬇️

artículo científico publicado el 18 de febrero de 2011

Matrix Infrared Spectroscopic and Electronic Structure Investigations of the Lanthanide Metal Atom-Methyl Fluoride Reaction Products CH3-LnF and CH2-LnHF: The Formation of Single Carbon-Lanthanide Metal Bonds ⬇️

artículo científico publicado el 12 de mayo de 2011

Mechanistic Study of Enhanced Protonation by Chromium(III) in Electrospray Ionization: A Superacid Bound to a Peptide

artículo científico publicado en 2019

Methane to methanol conversion induced by thorium oxide through the CH3Th(O)H intermediate in solid argon

artículo científico publicado el 24 de septiembre de 2012

Monomeric and Trimeric Thorium Chlorides Isolated from Acidic Aqueous Solution

artículo científico publicado en 2019

Photodissociation and Theory to Investigate Uranium Oxide Cluster Cations

artículo científico publicado en 2020

Polarizabilities of neutral atoms and atomic ions with a noble gas electron configuration

scientific article published on 01 November 2020

Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3

scientific article published on 05 February 2019

Predicting the Formation of Sulfur-Based Brønsted Acids from the Reactions of SOx with H2O and H2S

artículo científico publicado en 2019

Prediction of Bond Dissociation Energies/Heats of Formation for Diatomic Transition Metal Compounds: CCSD(T) Works.

artículo científico publicado en 2017

Prediction of Structures and Atomization Energies of Coinage Metals, (M)n, n < 20: Extrapolation of Normalized Clustering Energies to Predict the Cohesive Energy

artículo científico publicado en 2020

Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations

artículo científico publicado en 2016

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

artículo científico publicado en 2017

Properties of ThF(x) from infrared spectra in solid argon and neon with supporting electronic structure and thermochemical calculations

artículo científico publicado en 2014

Reaction Energetics and 13C Fractionation of Alanine Transamination in the Aqueous and Gas Phases

scientific article published on 13 February 2020

Reaction of CO2 with Groups 4 and 6 Transition Metal Oxide Clusters.

artículo científico publicado en 2017

Reaction of CO2 with UO3 Nanoclusters.

artículo científico publicado en 2017

Reaction of Laser-Ablated Uranium and Thorium Atoms with H2Se: A Rare Example of Selenium Multiple Bonding

artículo científico publicado en 2015

Reaction of NO2 with Groups IV and VI Transition Metal Oxide Clusters

artículo científico publicado en 2020

Reactions of Late Lanthanide Metal Atoms and Methanol in Solid Argon: A Matrix Isolation Infrared Spectroscopic and Theoretical Study ⬇️

artículo científico publicado el 5 de diciembre de 2011

Reactions of lanthanide atoms with oxygen difluoride and the role of the Ln oxidation state.

artículo científico publicado en 2013

Reactions of laser-ablated U atoms with (CN)2: infrared spectra and electronic structure calculations of UNC, U(NC)2, and U(NC)4 in solid argon

artículo científico publicado en 2015

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium.

artículo científico publicado en 2017

Role of N-Heterocyclic Carbenes as Ligands in Iridium Carbonyl Clusters

artículo científico publicado en 2017

Spectroscopic Characterization of μ-η1:η1-Peroxo Ligands Formed by Reaction of Dioxygen with Electron-Rich Iridium Clusters

scientific article published on 22 October 2019

Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra.

artículo científico publicado en 2017

Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State

artículo científico publicado en 2016

Synthesis of 1H-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides

artículo científico publicado en 2019

Synthesis, Structural Characterization, and Coordination Chemistry of (Trineopentylphosphine)palladium(aryl)bromide Dimer Complexes ([(Np3P)Pd(Ar)Br]2)

scientific article published on 25 September 2019

Th2O-, Th2Au-, and Th2AuO1,2- Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding

artículo científico publicado en 2020

The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.

artículo científico publicado en 2017

Thermodynamic Acidity Studies of 6,6'-Dihydroxy-2,2'-bipyridine: A Combined Experimental and Computational Approach.

artículo científico publicado en 2018

Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics

artículo científico publicado en 2020

Thorium and Uranium Hydride Phosphorus and Arsenic Bearing Molecules with Single and Double Actinide-Pnictogen and Bridged Agostic Hydrogen Bonds

artículo científico publicado en 2017

Thorium fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5- characterized by infrared spectra in solid argon and electronic structure and vibrational frequency calculations

artículo científico publicado en 2013

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2.

artículo científico publicado en 2017

Tungsten Hydride Phosphorus- and Arsenic-Bearing Molecules with Double and Triple W-P and W-As Bonds

Uranium(IV) Chloride Complexes: UCl62- and an Unprecedented U(H2O)4Cl4 Structural Unit.

artículo científico publicado en 2017

Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films

scientific article published on 20 August 2018

Lista de obras de David Dixon

A Computational Assessment of Actinide Dioxide Cations AnO22+ for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]2

Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material.

Acidity of M(VI)O2(OH)2 for M = Group 6, 16, and U as Central Atoms.

Activation of Water by Pentavalent Actinide Dioxide Cations: Characteristic Curium Revealed by a Reactivity Turn after Americium

Benchmark-Quality Atomization Energies for BeH and BeH2.

Characterization of Carbenes via Hydrogenation Energies, Stability, and Reactivity: What's in a Name?

Computational Study of Molecular Hydrogen Adsorption over Small (MO2) n Nanoclusters (M = Ti, Zr, Hf; n = 1 to 4).

Crystallographic evidence of Watson-Crick connectivity in the base pair of anionic adenine with thymine

Dehydration of UO2Cl2·3H2O and Nd(NO3)3·6H2O with a Soft Donor Ligand and Comparison of Their Interactions through X-ray Diffraction and Theoretical Investigation

Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

Die entscheidende Rolle von Sb₂F₁₀ bei der chemischen Synthese von F₂

Electronic Structure Predictions of the Energetic Properties of Tellurium Fluorides

Electronic Structures of Small (RuO2)n (n = 1-4) Nanoclusters and Their Anions and the Hydrolysis Reactions with Water.

Elucidation of Bottom-Up Growth of CaCO3 Involving Prenucleation Clusters from Structure Predictions and Decomposition of Globally Optimized (CaCO3)n Nanoclusters

Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers.

Energetics of CO2- in Aqueous Solution

Experimental and Computational Study of the Gas-Phase Acidities of Acidic Di- and Tripeptides

Experimental and Computational Study of the Structure, Steric Properties, and Binding Equilibria of Neopentylphosphine Palladium Complexes

Formation and Characterization of Homoleptic Thorium Isocyanide Complexes.

Formation of Cerium and Neodymium Isocyanides in the Reactions of Cyanogen with Ce and Nd Atoms in Argon Matrices

Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium

Hydrolysis of Metal Dioxides Differentiates d-block from f-block Elements: Pa(V) as a 6d Transition Metal; Pr(V) as a 4f "Lanthanyl"

Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules

Infrared Spectroscopic and Theoretical Studies on the OMF2 and OMF (M = Cr, Mo, W) Molecules in Solid Argon

Infrared spectra of H2ThS and H2US in noble gas matrixes: enhanced H-An-S covalent bonding

Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands ⬇️

Laser-Ablated U Atom Reactions with (CN)2 to Form UNC, U(NC)2, and U(NC)4: Matrix Infrared Spectra and Quantum Chemical Calculations

Matrix Infrared Spectra and Theoretical Studies of Thorium Oxide Species: ThOx and Th2Oy ⬇️

Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide−Methylene Complexes CH2LnF2 with Single Ln−C Bonds ⬇️

Matrix Infrared Spectroscopic and Electronic Structure Investigations of the Lanthanide Metal Atom-Methyl Fluoride Reaction Products CH3-LnF and CH2-LnHF: The Formation of Single Carbon-Lanthanide Metal Bonds ⬇️

Mechanistic Study of Enhanced Protonation by Chromium(III) in Electrospray Ionization: A Superacid Bound to a Peptide

Methane to methanol conversion induced by thorium oxide through the CH3Th(O)H intermediate in solid argon

Monomeric and Trimeric Thorium Chlorides Isolated from Acidic Aqueous Solution

Photodissociation and Theory to Investigate Uranium Oxide Cluster Cations

Polarizabilities of neutral atoms and atomic ions with a noble gas electron configuration

Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au3

Predicting the Formation of Sulfur-Based Brønsted Acids from the Reactions of SOx with H2O and H2S

Prediction of Bond Dissociation Energies/Heats of Formation for Diatomic Transition Metal Compounds: CCSD(T) Works.

Prediction of Structures and Atomization Energies of Coinage Metals, (M)n, n < 20: Extrapolation of Normalized Clustering Energies to Predict the Cohesive Energy

Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations

Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV Oxidation States

Properties of ThF(x) from infrared spectra in solid argon and neon with supporting electronic structure and thermochemical calculations

Reaction Energetics and 13C Fractionation of Alanine Transamination in the Aqueous and Gas Phases

Reaction of CO2 with Groups 4 and 6 Transition Metal Oxide Clusters.

Reaction of CO2 with UO3 Nanoclusters.

Reaction of Laser-Ablated Uranium and Thorium Atoms with H2Se: A Rare Example of Selenium Multiple Bonding

Reaction of NO2 with Groups IV and VI Transition Metal Oxide Clusters

Reactions of Late Lanthanide Metal Atoms and Methanol in Solid Argon: A Matrix Isolation Infrared Spectroscopic and Theoretical Study ⬇️

Reactions of lanthanide atoms with oxygen difluoride and the role of the Ln oxidation state.

Reactions of laser-ablated U atoms with (CN)2: infrared spectra and electronic structure calculations of UNC, U(NC)2, and U(NC)4 in solid argon

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium.

Role of N-Heterocyclic Carbenes as Ligands in Iridium Carbonyl Clusters

Spectroscopic Characterization of μ-η1:η1-Peroxo Ligands Formed by Reaction of Dioxygen with Electron-Rich Iridium Clusters

Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra.

Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State

Synthesis of 1H-Pyrazol-5-yl-pyridin-2-yl-[1,2,4]triazinyl Soft-Lewis Basic Complexants via Metal and Oxidant Free [3 + 2] Dipolar Cycloaddition of Terminal Ethynyl Pyridines with Tosylhydrazides

Synthesis, Structural Characterization, and Coordination Chemistry of (Trineopentylphosphine)palladium(aryl)bromide Dimer Complexes ([(Np3P)Pd(Ar)Br]2)

Th<sub>2</sub>O<sup>-</sup>, Th<sub>2</sub>Au<sup>-</sup>, and Th<sub>2</sub>AuO<sub>1,2</sub><sup>-</sup> Anions: Photoelectron Spectroscopic and Computational Characterization of Energetics and Bonding

The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes.

Thermodynamic Acidity Studies of 6,6'-Dihydroxy-2,2'-bipyridine: A Combined Experimental and Computational Approach.

Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics

Thorium and Uranium Hydride Phosphorus and Arsenic Bearing Molecules with Single and Double Actinide-Pnictogen and Bridged Agostic Hydrogen Bonds

Thorium fluorides ThF, ThF2, ThF3, ThF4, ThF3(F2), and ThF5- characterized by infrared spectra in solid argon and electronic structure and vibrational frequency calculations

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2.

Tungsten Hydride Phosphorus- and Arsenic-Bearing Molecules with Double and Triple W-P and W-As Bonds

Uranium(IV) Chloride Complexes: UCl62- and an Unprecedented U(H2O)4Cl4 Structural Unit.

Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films