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Controlled Assembly Synthesis of Atomically Precise Ultrastable Silver Nanoclusters with Polyoxometalates

artículo científico publicado en 2019

Correction to "Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions".

artículo científico publicado en 2017

Coupled Cluster Theory Combined with Reference Interaction Site Model Self-Consistent Field Explicitly Including Spatial Electron Density Distribution

artículo científico publicado en 2018

Electronically Excited Solute Described by RISM Approach Coupled with Multi-Reference Perturbation Theory: Vertical Excitation Energies of Bio-Imaging Probes

artículo científico publicado en 2018

Electrostatic Potential Fitting Method Using Constrained Spatial Electron Density Expanded with Preorthogonal Natural Atomic Orbitals

scientific article published on 10 November 2020

Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.

artículo científico publicado en 2018

Spin–Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution

scientific article published in 2022

Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences

artículo científico publicado en 2017

Theoretical Elucidation of Potential Enantioselectivity in a Pd-Catalyzed Aromatic C-H Coupling Reaction.

artículo científico publicado en 2017

Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions

artículo científico publicado en 2017

Toward Accurate Solvation Free Energy Calculation with the Reference Interaction Site Model Self-Consistent Field: Introduction of a New Bridge Function

artículo científico publicado en 2018

Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4'-N,N-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations

scientific article published on 12 November 2019

Unveiling Latent Photoreactivity of Imines

scientific article published on 23 January 2020

Water-Soluble Phospholo[3,2-b ]phosphole-P ,P ′-Dioxide-Based Fluorescent Dyes with High Photostability

article

σ-Bond Hydroboration of Cyclopropanes

artículo científico publicado en 2020

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