List of works - Guangjun Tian

Cluster-model DFT simulations of the infrared spectra of triazine-based molecular crystals

scientific article published on 01 August 2018

Fe L-Edge X-ray Absorption Spectra of Fe(II) Polypyridyl Spin Crossover Complexes from Time-Dependent Density Functional Theory

scientific article published on 06 December 2013

First-Principles Simulations of One- and Two-Photon Absorption Band Shapes of the Bis(BF2) Core Complex.

scientific article published on 3 February 2016

First-principles study on vibrationally resolved fluorescence of fused 5,15-(diphenyl)-10,20-(dibromo)porphyrin molecule

scientific article published on 01 August 2018

Fluorescence and phosphorescence of single C60 molecules as stimulated by a scanning tunneling microscope.

scientific article

Franck-Condon Blockade and Aggregation-Modulated Conductance in Molecular Devices Using Aggregation-Induced Emission-Active Molecules

scientific article published on 26 March 2019

Gauge invariant theory for super high resolution Raman images.

scientific article published in May 2017

Harvesting of surface plasmon polaritons: Role of the confinement factor

scientific article published on 01 September 2020

Infrared spectra of small anionic water clusters from density functional theory and wavefunction theory calculations

scientific article published on 01 May 2015

Intrinsic property of flavin mononucleotide controls its optical spectra in three redox states

scientific article published on 26 September 2011

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones

scientific article published on 30 September 2017

Numerical investigations on the electromagnetic enhancement effect to tip-enhanced Raman scattering and fluorescence processes

scientific article published on 28 February 2019

On the spectral profile change in the Q band absorption spectra of metalloporphyrins (Mg, Zn, and Pd): A first-principles study

scientific article published on 01 April 2019

Optical Excitation in Donor-Pt-Acceptor Complexes: Role of the Structure

scientific article published on 11 May 2016

Significant Contributions of the Albrecht's A Term to Nonresonant Raman Scattering Processes ⬇️

scientific article published on 15 October 2015

The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime

scientific article published on 01 September 2015

Theoretical Modeling of Plasmon-Enhanced Raman Images of a Single Molecule with Subnanometer Resolution ⬇️

scientific article published on 22 July 2015

Theoretical assessment of vibrationally resolved C1s X-ray photoelectron spectra of simple cyclic molecules

scientific article published on 01 September 2020

Theoretical modeling of tip-enhanced resonance Raman images of switchable azobenzene molecules on Au(111)

scientific article published on 01 July 2018

Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives.

scientific article published on 21 April 2017

Theory for Modeling of High Resolution Resonant and Nonresonant Raman Images

scientific article published on 29 September 2016

Thermally Activated Delayed Fluorescence in an Organic Cocrystal: Narrowing the Singlet-Triplet Energy Gap via Charge Transfer

scientific article published on 08 July 2019

Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline

scientific article published on 31 March 2015

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

article

Vibrationally-Resolved X-ray Photoelectron Spectra of Six Polycyclic Aromatic Hydrocarbons from First-Principles Simulations

scientific article published in 2022

Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy