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Lista de obras de Tao Zeng

A diabatization protocol that includes spin-orbit coupling.

artículo científico publicado en 2017

Bis(pentafluorophenyl)phenothiazylborane - an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling

artículo científico publicado en 2020

Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks

artículo científico publicado en 2019

Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length

scientific article published on 25 October 2018

Direct mapping of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy

artículo científico publicado en 2019

Do Diradicals Behave Like Radicals?

artículo científico publicado en 2019

Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy

scientific article published on 17 December 2018

General formalism of vibronic Hamiltonians for tetrahedral and octahedral systems: problems that involve T, E states and t, e vibrations.

artículo científico

Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in trigonal and tetragonal symmetries

artículo científico publicado en 2019

Identifying (BN)2-pyrenes as a New Class of Singlet Fission Chromophores: Significance of Azaborine Substitution

artículo científico publicado en 2018

Model core potentials of p-block elements generated considering the Douglas–Kroll relativistic effects, suitable for accurate spin-orbit coupling calculations ⬇️

artículo científico publicado el 21 de septiembre de 2010

NaI revisited: Theoretical investigation of predissociation via ultrafast XUV transient absorption spectroscopy

artículo científico publicado en 2019

On the analytical representation of free energy profiles with a Morse/long-range model: Application to the water dimer ⬇️

artículo científico publicado el 21 de junio de 2013

On the origin and convergence of a post-quantization constrained propagator for path integral simulations of rigid bodies ⬇️

artículo científico publicado el 14 de mayo de 2013

Theoretical Studies of Singlet Fission: Searching for Materials and Exploring Mechanisms

scientific article published on 23 February 2018

Two-component natural spinors from two-step spin-orbit coupled wave functions ⬇️

artículo científico publicado el 7 de junio de 2011

Unified Hamiltonian Formalism of Jahn–Teller and Pseudo-Jahn–Teller Problems in Axial Symmetries

scientific article published on 10 June 2021

Unified one-electron Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in axial symmetries

artículo científico publicado en 2021

Unified one-electron Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in tetrahedral and octahedral symmetries

scientific article published in 2022

Zintl Ions within Framework Channels: The Complex Structure and Low-Temperature Transport Properties of Na4Ge13.

artículo científico publicado en 2018

investigation of Br-3 core-excited states in HBr and HBr toward XUV probing of photochemical dynamics

article

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