Different photoisomerization routes found in the structural isomers of hydroxy methylcinnamate

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

(2017) Xing Gao et al.   Journal of Chemical Theory and Computation

Implementation and performance of the artificial force induced reaction method in the GRRM17 program

(2017) Satoshi Maeda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Towards elucidating the photochemistry of the sunscreen filter ethyl ferulate using time-resolved gas-phase spectroscopy

(2016) N. D. N. Rodrigues et al.   FARADAY DISCUSSIONS

Mechanistic Photochemistry of Methyl-4-hydroxycinnamate Chromophore and Its One-Water Complexes: Insights from MS-CASPT2 Study

(2016) Xiao-Ying Xie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Perspective on the Ultrafast Photochemistry of Solution-Phase Sunscreen Molecules

(2016) Lewis A. Baker et al.   Journal of Physical Chemistry Letters

Multistep Intersystem Crossing Pathways in Cinnamate-Based UV-B Sunscreens

(2016) Kaoru Yamazaki et al.   Journal of Physical Chemistry Letters

Bottom-up excited state dynamics of two cinnamate-based sunscreen filter molecules

(2016) Yoann Peperstraete et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photophysics of sunscreen molecules in the gas phase: a stepwise approach towards understanding and developing next-generation sunscreens

(2016) Natércia D. N. Rodrigues et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein

(2016) K. Pande et al.   SCIENCE

Electronic excitation and ionization behavior of N-hydroxypyridine-2(1H)-thione and its deprotonated anion in a polarizable medium studied using quantum chemical computations

(2016) Ryoichi Fukuda et al.   THEORETICAL CHEMISTRY ACCOUNTS

Towards elucidating the photochemistry of the sunscreen filter ethyl ferulate using time-resolved gas-phase spectroscopy

(2016) N. D. N. Rodrigues et al.   FARADAY DISCUSSIONS

Observing and understanding the ultrafast photochemistry in small molecules: applications to sunscreens

(2016) Lewis A. Baker et al.   SCIENCE PROGRESS

Photoprotection Mechanism of p-Methoxy Methylcinnamate: A CASPT2 Study

(2015) Xue-Ping Chang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct Spectroscopic Evidence of Photoisomerization in para-Methoxy Methylcinnamate Revealed by Low-Temperature Matrix-Isolation FTIR Spectroscopy

(2015) Yasunori Miyazaki et al.   Journal of Physical Chemistry Letters

Synthesis of Polysubstituted Pyridines via a One-Pot Metal-Free Strategy

(2015) Hongbo Wei et al.   ORGANIC LETTERS

Experimental and theoretical study on the excited-state dynamics of ortho-, meta-, and para-methoxy methylcinnamate

(2015) Yasunori Miyazaki et al.   JOURNAL OF CHEMICAL PHYSICS

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules

(2014) Ryoichi Fukuda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Systematic Exploration of Minimum Energy Conical Intersection Structures near the Franck–Condon Region

(2014) Satoshi Maeda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens

(2014) Tolga N. V. Karsili et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Plant Sunscreens in the UV-B: Ultraviolet Spectroscopy of Jet-Cooled Sinapoyl Malate, Sinapic Acid, and Sinapate Ester Derivatives

(2014) Jacob C. Dean et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positions

(2014) Malinee Promkatkaew et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

A comprehensive study of isomerization and protonation reactions in the photocycle of the photoactive yellow protein

(2014) Lili Wei et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MolSOC: A spin–orbit coupling code

(2013) Sandro Giuseppe Chiodo et al.   COMPUTER PHYSICS COMMUNICATIONS

Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method

(2013) Satoshi Maeda et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

(2013) Satoshi Maeda et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Excited state dynamics of Photoactive Yellow Protein chromophores elucidated by high-resolution spectroscopy and ab initio calculations

(2012) Eric M. M. Tan et al.   FARADAY DISCUSSIONS

Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore

(2012) Mitra Almasian et al.   Journal of Physical Chemistry Letters

Nonradiative decay dynamics of methyl-4-hydroxycinnamate and its hydrated complex revealed by picosecond pump–probe spectroscopy

(2012) Daiki Shimada et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore

(2011) Dmitry Zuev et al.   JOURNAL OF CHEMICAL PHYSICS

Changes in the Hydrogen-Bond Network around the Chromophore of Photoactive Yellow Protein in the Ground and Excited States

(2011) Misao Mizuno et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spectroscopy and dynamics of methyl-4-hydroxycinnamate: the influence of isotopic substitution and water complexation

(2011) Szymon Smolarek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction method

(2009) Malinee Promkatkaew et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore

(2009) Martial Boggio-Pasqua et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formulation and implementation of direct algorithm for the symmetry-adapted cluster and symmetry-adapted cluster–configuration interaction method

(2008) Ryoichi Fukuda et al.   JOURNAL OF CHEMICAL PHYSICS

One-electron spin-orbit contribution by effective nuclear charges

(2008) Sandro G. Chiodo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Arginine52 Controls the Photoisomerization Process in Photoactive Yellow Protein

(2008) Gerrit Groenhof et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS