List of works by Haibo Ma

"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method

scientific article published on 01 May 2004

2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior.

scientific article published on 8 October 2015

A molecular contact theory for simulating polarization: application to dielectric constant prediction

scientific article published on 01 July 2019

An ester bond underlies the mechanical strength of a pathogen surface protein

scientific article published on 23 August 2021

Carbon Dioxide (CO2) Fixation: Linearly Bridged Zn2 Paddlewheel Nodes by CO2 in a Metal-Organic Framework

scientific article published on 12 November 2019

Charge transfer via deep hole in the J51/N2200 blend

scientific article published on 01 August 2020

Chlorinated Wide-Bandgap Donor Polymer Enabling Annealing Free Nonfullerene Solar Cells with the Efficiency of 11.5.

scientific article published on 03 December 2018

Density dependence of the entropy and the solvation shell structure in supercritical water via molecular dynamics simulation

scientific article published on 01 June 2012

Direct Extracellular Electron Transfer of the Geobacter sulfurreducens Pili Relevant to Interaromatic Distances

scientific article published on 11 November 2019

Direct Optical Generation of Long-Range Charge-Transfer States in Organic Photovoltaics

scientific article published on 16 July 2014

Dynamical simulations of charged soliton transport in conjugated polymers with the inclusion of electron-electron interactions

scientific article published on 01 December 2008

Dynamical simulations of polaron transport in conjugated polymers with the inclusion of electron-electron interactions.

scientific article published in February 2009

Effect of electron-electron interactions on the charge carrier transitions in trans-polyacetylene

scientific article published on 01 May 2010

Efficient Reconstruction of CAS-CI-Type Wave Functions for a DMRG State Using Quantum Information Theory and a Genetic Algorithm

scientific article

Electronic Excited States in Amorphous MEH-PPV Polymers from Large-Scale First Principles Calculations.

scientific article

Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals

scientific article published on 22 April 2019

Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function

scientific article published on 13 August 2018

Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

scientific article published on 3 January 2018

Long Persistent Luminescence Enabled by Dissociation of Triplet Intermediate States in an Organic Guest/Host System

scientific article published on 17 April 2020

Modulating the Exciton Dissociation Rate by up to More than Two Orders of Magnitude by Controlling the Alignment of LUMO + 1 in Organic Photovoltaics

Opposite Anisotropy Effects of Singlet and Triplet Exciton Diffusion in Tetracene Crystal

scientific article published on 18 February 2016

PASCI : A Scalable Framework for Heterogeneous Parallel Calculation of Dynamical Electron Correlation

scientific article published on 08 August 2024

Simultaneous Noncovalent Modification and Exfoliation of 2D Carbon Nitride for Enhanced Electrochemiluminescent Biosensing.

scientific article published on 8 August 2017

Single Molecule Study of Force-Induced Rotation of Carbon-Carbon Double Bonds in Polymers

scientific article

Single-Molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect

scientific article published on 13 December 2019

Singlet Fission Dynamics in Tetracene Single Crystals Probed by Polarization-Dependent Two-Dimensional Electronic Spectroscopy

scientific article published on 08 December 2020

Static polarizability and second hyperpolarizability of closed- and open-shell pi-conjugated polymers

scientific article published on 01 January 2007

Theoretical Investigation of Mono- and Di-Chloro-Substitient Effects on the Insulation and Greenhouse Properties of Octafluorocyclobutane.

scientific article published on 15 December 2016

Theoretical investigation of static characterization on nonlinear elementary excitations in trans-polyacetylene

scientific article published in December 2006

Theoretical study of the lowest pi-->pi* excitation energies for neutral and doped polyenes

scientific article published on 01 August 2005

Theoretical study of very high spin organic pi-conjugated polyradicals

scientific article published on 14 August 2007

Three Novel Isomeric Zinc Metal–Organic Frameworks from a Tetracarboxylate Linker

scientific article published on 18 June 2012

Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems

scientific article published on 01 December 2019

Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

article published in 2017

Ultrafast Long-Range Charge Separation in Organic Photovoltaics: Promotion by Off-Diagonal Vibronic Couplings and Entropy Increase

scientific article published on 14 November 2016

Unraveling Correlations between Molecular Properties and Device Parameters of Organic Solar Cells Using Machine Learning

scientific article published on 12 November 2019

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