Lista de obras -

A master equation simulation for the •OH + CH3OH reaction

scientific article published on 01 February 2019

Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide

artículo científico publicado en 2017

Broadband Microwave Spectroscopy of 2-Furanyloxy Radical: Primary Pyrolysis Product of the Second-Generation Biofuel 2-Methoxyfuran

scientific article published on 19 August 2018

Coupled-cluster techniques for computational chemistry: The CFOUR program package

scientific article published on 01 June 2020

Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations

scientific article published on 02 March 2020

Directed Gas-Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H2)Si)

scientific article published on 05 March 2019

Electron-Withdrawing Effects in the Photodissociation of CHICl To Form CHCl Radical, Simultaneously Viewed Through the Carbon K and Chlorine L X-ray Edges

artículo científico publicado en 2018

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks

artículo científico publicado en 2021

First-Principles Calculation of Jahn-Teller Rotational Distortion Parameters

artículo científico publicado en 2019

Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results

scientific article published on 01 September 2018

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde

artículo científico publicado en 2018

High-Resolution Photoelectron Spectroscopy of Cryogenically Cooled NO3̅

scientific article published on 30 December 2019

High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency

scientific article published on 01 June 2019

Molecular structure determination: Equilibrium structure of pyrimidine (m-C4H4N2) from rotational spectroscopy (re SE) and high-level ab initio calculation (re) agree within the uncertainty of experimental measurement

scientific article published on 01 March 2020

Nonadiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene

artículo científico publicado en 2019

Pragmatic Solution for a Fully E,J-Resolved Master Equation

artículo científico publicado en 2020

Semiclassical transition state theory based on fourth order vibrational perturbation theory: Model system studies beyond symmetric Eckart barrier

article

Structural Characterization of Phenoxy Radical with Mass-Correlated Broadband Microwave Spectroscopy

scientific article published on 17 May 2019

Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations

artículo científico publicado en 2020

Three-Dimensional Master Equation (3DME) Approach

artículo científico publicado en 2018

Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study.

artículo científico publicado en 2018

Velocity map imaging spectroscopy of C2H− and C2D−: A benchmark study of vibronic coupling interactions

artículo científico publicado en 2022

Lista de obras de

A master equation simulation for the •OH + CH3OH reaction

Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide

Broadband Microwave Spectroscopy of 2-Furanyloxy Radical: Primary Pyrolysis Product of the Second-Generation Biofuel 2-Methoxyfuran

Coupled-cluster techniques for computational chemistry: The CFOUR program package

Decoherence in Molecular Electron Spin Qubits: Insights from Quantum Many-Body Simulations

Directed Gas-Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H2)Si)

Electron-Withdrawing Effects in the Photodissociation of CHICl To Form CHCl Radical, Simultaneously Viewed Through the Carbon K and Chlorine L X-ray Edges

Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks

First-Principles Calculation of Jahn-Teller Rotational Distortion Parameters

Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde

High-Resolution Photoelectron Spectroscopy of Cryogenically Cooled NO3̅

High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency

Molecular structure determination: Equilibrium structure of pyrimidine (m-C4H4N2) from rotational spectroscopy (re SE) and high-level ab initio calculation (re) agree within the uncertainty of experimental measurement

Nonadiabatic Investigation of the Electronic Spectroscopy of trans-1,3-Butadiene

Pragmatic Solution for a Fully E,J-Resolved Master Equation

Semiclassical transition state theory based on fourth order vibrational perturbation theory: Model system studies beyond symmetric Eckart barrier

Structural Characterization of Phenoxy Radical with Mass-Correlated Broadband Microwave Spectroscopy

Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations

Three-Dimensional Master Equation (3DME) Approach

Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study.

Velocity map imaging spectroscopy of C<sub>2</sub>H<sup>−</sup> and C<sub>2</sub>D<sup>−</sup>: A benchmark study of vibronic coupling interactions