Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory
出版年份 2022 全文链接
标题
Ultrafast Evaluation of Two-Photon Absorption with Simplified Time-Dependent Density Functional Theory
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 126, Issue 41, Pages 7534-7547
出版商
American Chemical Society (ACS)
发表日期
2022-10-06
DOI
10.1021/acs.jpca.2c02395
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- The role of hydrogen bonds and electrostatic interactions in enhancing two‐photon absorption in green and yellow fluorescent proteins
- (2022) Dawid Grabarek et al. CHEMPHYSCHEM
- Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
- (2022) Marta Chołuj et al. Journal of Chemical Theory and Computation
- Theoretical studies on the two-photon absorption of II–VI semiconductor nano clusters
- (2022) Deyang Yu et al. Scientific Reports
- The Challenge of Accurate Computation of Two-Photon Absorption Properties of Organic Chromophores in the Condensed Phase
- (2021) Mingxue Fu et al. Journal of Chemical Theory and Computation
- Perspective on Simplified Quantum Chemistry Methods for Excited States and Response Properties
- (2021) Marc de Wergifosse et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
- (2021) Evgeny Epifanovsky et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic Structure of Liquid Alkanes: A Representative Case of Liquid Hexanes and Cyclohexane Studied Using Polarization-Dependent Two-Photon Absorption Spectroscopy
- (2021) Dhritiman Bhattacharyya et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins
- (2021) Maria Rossano‐Tapia et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins
- (2021) Pierre Beaujean et al. Journal of Physical Chemistry Letters
- Extended tight‐binding quantum chemistry methods
- (2020) Christoph Bannwarth et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation
- (2020) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Rational Design of Organic Probes for Turn-On Two-Photon Excited Fluorescence Imaging and Photodynamic Therapy
- (2019) Chun-Lin Sun et al. Chem
- Determination of Two-photon Absorption Cross-sections using Time-dependent Density Functional Theory Tight-binding: Application to Fluorescent Protein Chromophores
- (2019) Maria Rossano-Tapia et al. Journal of Chemical Theory and Computation
- GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
- (2019) Christoph Bannwarth et al. Journal of Chemical Theory and Computation
- Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of excited-state absorption spectra
- (2019) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
- (2019) Roberto Di Remigio et al. Journal of Chemical Theory and Computation
- Electronic Structure of Liquid Methanol and Ethanol from Polarization-Dependent Two-Photon Absorption Spectroscopy
- (2019) Dhritiman Bhattacharyya et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A self-assembled Ru–Pt metallacage as a lysosome-targeting photosensitizer for 2-photon photodynamic therapy
- (2019) Zhixuan Zhou et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Functional Materials for Two‐Photon Polymerization in Microfabrication
- (2019) Marco Carlotti et al. Small
- Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability
- (2018) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths
- (2018) Maarten T. P. Beerepoot et al. Journal of Chemical Theory and Computation
- Two-Photon Absorption Properties of Gold Fluorescent Protein: A Combined Molecular Dynamics and Quantum Chemistry Study
- (2018) Yusuf Şimşek et al. JOURNAL OF PHYSICAL CHEMISTRY B
- ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins
- (2018) Marc de Wergifosse et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Two photon spectroscopy and microscopy of the fluorescent flavoprotein, iLOV
- (2018) Rachael J. Homans et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Solution and Solid-State Emission Toggling of a Photochromic Hydrazone
- (2018) Baihao Shao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach
- (2018) Kaushik D. Nanda et al. JOURNAL OF CHEMICAL PHYSICS
- Assessment of Functionals for TDDFT Calculations of One- and Two-Photon Absorption Properties of Neutral and Anionic Fluorescent Proteins Chromophores
- (2018) Dawid Grabarek et al. Journal of Chemical Theory and Computation
- Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene
- (2017) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experiment
- (2017) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Quadratic Response Properties from TDDFT: Trials and Tribulations
- (2017) Shane M. Parker et al. Journal of Chemical Theory and Computation
- Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones
- (2017) Joanna Bednarska et al. MOLECULES
- Two-photon excitation nanoparticles for photodynamic therapy
- (2016) Yizhong Shen et al. CHEMICAL SOCIETY REVIEWS
- Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
- (2016) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acids
- (2016) M. Alaraby Salem et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Small-Molecule Two-Photon Probes for Bioimaging Applications
- (2015) Hwan Myung Kim et al. CHEMICAL REVIEWS
- Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks
- (2015) Kaushik D. Nanda et al. JOURNAL OF CHEMICAL PHYSICS
- Two-Photon Responsive Metal–Organic Framework
- (2015) Jiancan Yu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamics
- (2015) M. Alaraby Salem et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP
- (2015) Maarten T. P. Beerepoot et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Imaging without Fluorescence: Nonlinear Optical Microscopy for Quantitative Cellular Imaging
- (2014) Aaron M. Streets et al. ANALYTICAL CHEMISTRY
- Nonlinear response time-dependent density functional theory combined with the effective fragment potential method
- (2014) Federico Zahariev et al. JOURNAL OF CHEMICAL PHYSICS
- Two-Photon Absorption in Fluorescent Protein Chromophores: TDDFT and CC2 Results
- (2014) M. Alaraby Salem et al. Journal of Chemical Theory and Computation
- Two-Photon Absorption Spectra Predicted by Semiempirical Methods
- (2014) Iffat H. Nayyar et al. Journal of Computational and Theoretical Nanoscience
- Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of “miniSOG”, a protein-encased flavin
- (2014) Nanna H. List et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein
- (2014) Maarten T. P. Beerepoot et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Human infrared vision is triggered by two-photon chromophore isomerization
- (2014) Grazyna Palczewska et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A simplified time-dependent density functional theory approach for electronic ultraviolet and circular dichroism spectra of very large molecules
- (2014) Christoph Bannwarth et al. Computational and Theoretical Chemistry
- A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules
- (2013) Stefan Grimme JOURNAL OF CHEMICAL PHYSICS
- Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants
- (2013) Kristian Sneskov et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Excited states using the simplified Tamm–Dancoff-Approach for range-separated hybrid density functionals: development and application
- (2013) Tobias Risthaus et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Dalton quantum chemistry program system
- (2013) Kestutis Aidas et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
- (2012) Trygve Helgaker et al. CHEMICAL REVIEWS
- Molecular-Level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore
- (2012) Nanna H. List et al. Journal of Physical Chemistry Letters
- A combined quantum mechanics/molecular mechanics study of the one- and two-photon absorption in the green fluorescent protein
- (2012) Arnfinn Hykkerud Steindal et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Experimental and theoretical study of two-photon absorption in nitrofuran derivatives: Promising compounds for photochemotherapy
- (2011) L. De Boni et al. JOURNAL OF CHEMICAL PHYSICS
- Two-photon absorption properties of fluorescent proteins
- (2011) Mikhail Drobizhev et al. NATURE METHODS
- Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation
- (2011) Daniel H. Friese et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Calculation of One- and Two-Photon Absorption Spectra of Thiolated Gold Nanoclusters using Time-Dependent Density Functional Theory
- (2010) Paul N. Day et al. Journal of Chemical Theory and Computation
- Benzothiazole-Based Fluorophores of Donor−π-Acceptor−π-Donor Type Displaying High Two-Photon Absorption
- (2010) Veronika Hrobáriková et al. JOURNAL OF ORGANIC CHEMISTRY
- Degenerate Two-Photon Absorption in All-Trans Retinal: Nonlinear Spectrum and Theoretical Calculations
- (2010) M. G. Vivas et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Two-Photon Absorption Properties of Two-Dimensional π-Conjugated Chromophores: Combined Experimental and Theoretical Study
- (2010) Koji Ohta et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Two-photon microscopy of deep intravital tissues and its merits in clinical research
- (2009) B.-G. WANG et al. JOURNAL OF MICROSCOPY
- Two-Photon Three-Dimensional Optical Storage Memory
- (2009) A. S. Dvornikov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Enhanced Two-Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments
- (2008) Francesca Terenziani et al. ADVANCED MATERIALS
- A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets
- (2008) Andreas J. Thorvaldsen et al. JOURNAL OF CHEMICAL PHYSICS
- Calculation of One-Photon and Two-Photon Absorption Spectra of Porphyrins Using Time-Dependent Density Functional Theory
- (2008) Paul N. Day et al. Journal of Chemical Theory and Computation
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started