专题：Spectroscopy and Quantum Chemical Studies

This cluster of papers explores the role of quantum coherence in photosynthetic energy transfer, as well as its effects on energy migration, ion interactions, hydrogen bonding, and vibrational dynamics in aqueous systems. The research also delves into the impact of ions on surface interfaces and the behavior of molecular systems under quantum coherence.
最新文献
Molecular Microheterogeneity: Structure Formation in Amine-Water Mixtures

article Full Text OpenAlex

A unified quantum rate theory of electron transfer: conceptual advances in quantum electrochemistry

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Spatially Resolved Single-Water Entropy around Amino Acids and Its Link to Hydropathy

article Full Text OpenAlex

Unveiling Argon’s Hidden Reactivity: Discovery of Argon Hydroxide Cations at the Air–Water Interface of Microdroplets

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Quantifying Ultrafast Hot Carrier Transfer along a Specific Vibrational Reaction Coordinate at Plasmonic Nanoparticle/Molecule Interfaces

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Spontaneous symmetry breaking in open quantum systems: Strong, weak, and strong-to-weak

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Consistent and Generalizable Effective Model Hamiltonian Framework for Studying Nonadiabatic Dynamics in the Condensed Phase

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SymC: A Phenomenological Boundary Postulate for Quantum–Classical Convergence

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Following Flavin’s Vibrational Modes to Probe Anharmonicities and Low-Lying Conical Intersections

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Reevaluating Anomalous Electric Fields at the Air–Water Interface: A Surface-Specific Spectroscopic Survey

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近5年高被引文献
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

article Full Text OpenAlex 3083 FWCI313.9631

Charge and Energy Transfer Dynamics in Molecular Systems

book Full Text OpenAlex 958 FWCI16.5699

Hydrogen bond network connectivity in the electric double layer dominates the kinetic pH effect in hydrogen electrocatalysis on Pt

article Full Text OpenAlex 660 FWCI29.0434

Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory

article Full Text OpenAlex 375 FWCI76.9338

Understanding specific ion effects and the Hofmeister series

review Full Text OpenAlex 375 FWCI51.8272

Lipid21: Complex Lipid Membrane Simulations with AMBER

article Full Text OpenAlex 338 FWCI26.6585

Can electric fields drive chemistry for an aqueous microdroplet?

article Full Text OpenAlex 329 FWCI45.911

The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry

article Full Text OpenAlex 301 FWCI61.7522

Tailoring water structure with high-tetrahedral-entropy for antifreezing electrolytes and energy storage at −80 °C

article Full Text OpenAlex 284 FWCI58.2645

On the importance of the electric double layer structure in aqueous electrocatalysis

article Full Text OpenAlex 274 FWCI21.319