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Journal Articles
Two-dimensional electronic spectroscopy of Betaine-30
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 184302 (2025)
Published: May 2025
Journal Articles
Multiscale modeling of charge transfer in hole-transporting materials: Linking molecular morphology to charge mobility
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 184702 (2025)
Published: May 2025
Journal Articles
Excited triplet state zero-field splitting in a ligand-to-ligand charge transfer complex
Available to PurchaseJoshua Mengell, Shiyue Gao, Caroline Mangione, Mundendra Yadav, Dominic Kersi, Jing Yang, Stephen McGill, David A. Shultz, Martin L. Kirk
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 164312 (2025)
Published: April 2025
Includes: Supplementary data
Journal Articles
Diagrammatic multiplet-sum method (MSM) density-functional theory (DFT): Completion of the two-orbital two-electron model (TOTEM) with an application to the avoided crossing in lithium hydride (LiH)
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144317 (2025)
Published: April 2025
Journal Articles
Photophysics of meta- and para-nitrophenolate. I. The role of configuration, microsolvation, and solvation on the charge transfer transition
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 144314 (2025)
Published: April 2025
Journal Articles
Constrained dipole moment density functional theory for the calculation of the charge-transfer energy in non-covalent complexes
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 124104 (2025)
Published: March 2025
Journal Articles
Alessandro Agostini, Mirco Zerbetto, Davide Sartori, Samuel Zatta, Antonino Polimeno, Agostina Lina Capodilupo, Lorenzo Franco
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 114303 (2025)
Published: March 2025
Journal Articles
Attaining high accuracy for charge-transfer excitations in non-covalent complexes at second-order perturbation cost: The importance of state-specific self-consistency
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 104109 (2025)
Published: March 2025
Journal Articles
Journal Articles
Charge photogeneration dynamics in random terpolymer donor-based non-fullerene polymer solar cells
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094705 (2025)
Published: March 2025
Journal Articles
Journal Articles
Highly stable inverted perovskite solar cells with all-inorganic selective contact using iron-doped zinc oxide
Available to PurchaseLong Wang, Yufang Li, Honglie Shen, Lei Wang, Qichen Zhao, Jinjie Zheng, Hechao Li, Zhihong Xie, Andi Chen, Sijia Miao, Haibin Huang
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094703 (2025)
Published: March 2025
Journal Articles
Resolving dispersive diffusion in layered perovskites with photocurrent-detected transient gratings
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 074201 (2025)
Published: February 2025
Journal Articles
An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 064105 (2025)
Published: February 2025
Journal Articles
Comparative study on charge photogeneration dynamics of Y small molecule and polymerized Y small molecule based polymer solar cells
Available to PurchaseJunyi Feng, Guanzhao Wen, Rong Hu, Wenping Yin, Xianshao Zou, Xiaojun Su, Jianbin Zhong, Geng Dong, Wei Zhang
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 054710 (2025)
Published: February 2025
Journal Articles
Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals
Available to PurchaseMalik L. Williams, Jonathan R. Palmer, Samuel B. Tyndall, Yizhe Chen, Ryan M. Young, Antonio J. Garzon-Ramirez, Roel Tempelaar, Michael R. Wasielewski
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 024505 (2025)
Published: January 2025
Journal Articles
Influence of nonequilibrium vibrational dynamics on spin selectivity in chiral molecular junctions
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 014304 (2025)
Published: January 2025
Journal Articles
Molecular orientation of dielectric layers at indigo/dielectric interfaces impacts the ordering of indigo films in organic field-effect transistors
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 014704 (2025)
Published: January 2025
Journal Articles
Tunneling barriers in an extended Marcus theory of electron transfer: Incorporating effects of the bridging medium
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 244109 (2024)
Published: December 2024
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