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Multireference Approaches for Excited States of Molecules

Chemical reviews, 2018-08, Vol.118 (15), p.7293-7361

2018

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Biogas as an alternative source of decentralized bioelectricity for large waste producers: An assessment framework at the University of São Paulo

Energy (Oxford), 2022-01, Vol.239, p.122326, Article 122326

2022

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A simplified mathematical model to predict PVC photodegradation in photobioreactors

Polymer testing, 2012-08, Vol.31 (5), p.638-644

2012

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Can clinical presentation predict radiologically confirmed cauda equina syndrome: retrospective case review of 530 cases at a tertiary emergency department

European spine journal, 2024-11, Vol.33 (11), p.4243-4252

2024

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Isomeric Separation of Permethylated Glycans by Porous Graphitic Carbon (PGC)-LC-MS/MS at High Temperatures

Analytical chemistry (Washington), 2017-06, Vol.89 (12), p.6590-6597

2017

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Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (18), p.977-988

2019

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Decreased carbon accumulation feedback driven by climate‐induced drying of two southern boreal bogs over recent centuries

Global change biology, 2020-04, Vol.26 (4), p.2435-2448

2020

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Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

Proceedings of the National Academy of Sciences - PNAS, 2010-12, Vol.107 (50), p.21453-21458

2010

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High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124302-124302

2019

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Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3‑Hydroxyflavone Using Explicit Hydration Models

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (26), p.5765-5778

2021

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Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

The Journal of chemical physics, 2022-10, Vol.157 (15), p.154305-154305

2022

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Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3280-3289

2014

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The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study

Physical chemistry chemical physics : PCCP, 2012-07, Vol.14 (25), p.9016-9025

2012

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Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (3), p.1722-1735

2022

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A New Supervised Method for Blood Vessel Segmentation in Retinal Images by Using Gray-Level and Moment Invariants-Based Features

IEEE transactions on medical imaging, 2011-01, Vol.30 (1), p.146-158

2011

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Intramolecular Charge-Transfer Excited-State Processes in 4‑(N,N‑Dimethylamino)benzonitrile: The Role of Twisting and the πσ State

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (24), p.6232-6243

2015

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Consistent centennial‐scale change in European sub‐Arctic peatland vegetation toward Sphagnum dominance—Implications for carbon sink capacity

Global change biology, 2023-03, Vol.29 (6), p.1530-1544

2023

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Antiulcer activity of Opuntia ficus indica (L.) Mill. (Cactaceae): ultrastructural study

Journal of ethnopharmacology, 2001-06, Vol.76 (1), p.1-9

2001

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Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System

Journal of the American Chemical Society, 2013-12, Vol.135 (49), p.18252-18255

2013

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Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (13), p.6145-6155

2011

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Recent climate change has driven divergent hydrological shifts in high-latitude peatlands

Nature communications, 2022-08, Vol.13 (1), p.4959-4959, Article 4959

2022

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Mathematics and Computation in Music: 8th International Conference, MCM 2022, Atlanta, GA, USA, June 21-24, 2022, Proceedings

1, 2022

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Electronically Excited States in Poly(p‑phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-03, Vol.117 (10), p.2181-2189

2013

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Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for cis-/trans-Diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations

Journal of organic chemistry, 2020-03, Vol.85 (5), p.3664-3675

2020

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Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (21), p.5247-5255

2011

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Multireference Approaches for Excited States of Molecules

Biogas as an alternative source of decentralized bioelectricity for large waste producers: An assessment framework at the University of São Paulo

A simplified mathematical model to predict PVC photodegradation in photobioreactors

Can clinical presentation predict radiologically confirmed cauda equina syndrome: retrospective case review of 530 cases at a tertiary emergency department

Isomeric Separation of Permethylated Glycans by Porous Graphitic Carbon (PGC)-LC-MS/MS at High Temperatures

Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots

Decreased carbon accumulation feedback driven by climate‐induced drying of two southern boreal bogs over recent centuries

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots

Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3‑Hydroxyflavone Using Explicit Hydration Models

Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes

The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study

Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes

A New Supervised Method for Blood Vessel Segmentation in Retinal Images by Using Gray-Level and Moment Invariants-Based Features

Intramolecular Charge-Transfer Excited-State Processes in 4‑(N,N‑Dimethylamino)benzonitrile: The Role of Twisting and the πσ State

Consistent centennial‐scale change in European sub‐Arctic peatland vegetation toward Sphagnum dominance—Implications for carbon sink capacity

Antiulcer activity of Opuntia ficus indica (L.) Mill. (Cactaceae): ultrastructural study

Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System

Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation

Recent climate change has driven divergent hydrological shifts in high-latitude peatlands

Mathematics and Computation in Music: 8th International Conference, MCM 2022, Atlanta, GA, USA, June 21-24, 2022, Proceedings

Electronically Excited States in Poly(p‑phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations

Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for cis-/trans-Diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations

Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms

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