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Journal Articles

Quantum theory of stimulated Raman scattering microscopy

Xin Gao, Wei Min

Chem. Phys. Rev. 6, 021306 (2025)

https://doi.org/10.1063/5.0248085

Published: May 2025

View articletitled, Quantum theory of stimulated Raman scattering microscopy

Journal Articles

Rational electrocatalyst design for selective nitrate reduction to ammonia

Zhaodong Niu, Guoxiong Wang

Chem. Phys. Rev. 6, 011307 (2025)

https://doi.org/10.1063/5.0230248

Published: February 2025

View articletitled, Rational electrocatalyst design for selective nitrate reduction to ammonia

Journal Articles

Stable surfactant monolayers at the electrochemical interfacial double layer across a wide potential range

Chenglai Wang, Chun-Chieh Yu, Qiufan Shi, Zishan Wu, Boxin Zhang, Stephen B. Cronin, Wei Xiong

Chem. Phys. Rev. 6, 011401 (2025)

https://doi.org/10.1063/5.0246955

Published: February 2025

View articletitled, Stable surfactant monolayers at the electrochemical interfacial double layer across a wide potential range

Journal Articles

Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations

Ji Woong Yu, Changsu Yoo, Suchan Cho, Myungeun Seo, YongJoo Kim

Chem. Phys. Rev. 6, 011303 (2025)

https://doi.org/10.1063/5.0236427

Published: January 2025

View articletitled, Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations

Journal Articles

Quantum magnetism of spin qubits in S = 1/2 Cu(II) systems in discrete complexes, chains, and metal-organic frameworks

Masanori Wakizaka, Masahiro Yamashita

Chem. Phys. Rev. 6, 011301 (2025)

https://doi.org/10.1063/5.0226942

Published: January 2025

View articletitled, Quantum magnetism of spin qubits in S = 1/2 Cu(II) systems in discrete complexes, chains, and metal-organic frameworks

Journal Articles

Modulating spin-valley relaxation in WSe₂ with variable thickness VOPc layers

Daphné Lubert-Perquel, Byeong Wook Cho, Alan J. Phillips, Young Hee Lee, Jeffrey L. Blackburn, Justin C. Johnson

Chem. Phys. Rev. 5, 041405 (2024)

https://doi.org/10.1063/5.0238993

Published: December 2024

View articletitled, Modulating spin-valley relaxation in WSe2 with variable thickness VOPc layers

Journal Articles

Supramolecular synthons, tectons, and crystal structures of noncovalent organic frameworks

Ichiro Hisaki, Takuto Fujii, Ryusei Oketani

Chem. Phys. Rev. 5, 041304 (2024)

https://doi.org/10.1063/5.0238032

Published: November 2024

View articletitled, Supramolecular synthons, tectons, and crystal structures of noncovalent organic frameworks

Journal Articles

Metal–metal oxide hybrid catalysts for electrocatalytic CO₂ reduction reaction

Zuohuan Chen, Yifan Ye, Kun Jiang

Chem. Phys. Rev. 5, 041302 (2024)

https://doi.org/10.1063/5.0223542

Published: November 2024

View articletitled, Metal–metal oxide hybrid catalysts for electrocatalytic CO2 reduction reaction

Journal Articles

Constrained nuclear-electronic orbital QM/MM approach for simulating complex systems with quantum nuclear delocalization effects incorporated

Xianyuan Zhao, Zehua Chen, Yang Yang

Chem. Phys. Rev. 5, 041401 (2024)

https://doi.org/10.1063/5.0226271

Published: October 2024

View articletitled, Constrained nuclear-electronic orbital QM/MM approach for simulating complex systems with quantum nuclear delocalization effects incorporated

Journal Articles

Strategies for rational design and applications of transition metal clusters

Swayam Prabha Misra, Alok Ranjan, Raghav Shrimali, Parag A. Deshpande

Chem. Phys. Rev. 5, 031309 (2024)

https://doi.org/10.1063/5.0204606

Published: September 2024

View articletitled, Strategies for rational design and applications of transition metal clusters

Journal Articles

Perfluoroaryl⋯aryl interaction: The most important subset of π -hole⋯ π bonding

Weizhou Wang, Wen Xin Wu, Yu Zhang, Wei Jun Jin

Chem. Phys. Rev. 5, 031303 (2024)

https://doi.org/10.1063/5.0205540

Published: July 2024

View articletitled, Perfluoroaryl⋯aryl interaction: The most important subset of π -hole⋯ π bonding

Journal Articles

Long carbon–carbon bonds and beyond

Masaya Kishimoto, Takashi Kubo

Chem. Phys. Rev. 5, 031302 (2024)

https://doi.org/10.1063/5.0214406

Published: July 2024

View articletitled, Long carbon–carbon bonds and beyond

Journal Articles

Aqueous solution chemistry in silico and the role of data-driven approaches

Debarshi Banerjee, Khatereh Azizi, Colin K. Egan, Edward Danquah Donkor, Cesare Malosso, Solana Di Pino, Gonzalo Díaz Mirón, Martina Stella, Giulia Sormani, Germaine Neza Hozana, Marta Monti, Uriel N. Morzan, Alex Rodriguez, Giuseppe Cassone, Asja Jelic, Damian Scherlis, Ali Hassanali

Chem. Phys. Rev. 5, 021308 (2024)

https://doi.org/10.1063/5.0207567

Published: June 2024

View articletitled, Aqueous solution chemistry in silico and the role of data-driven approaches

Journal Articles

Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality

Alessandro Genoni

Chem. Phys. Rev. 5, 021306 (2024)

https://doi.org/10.1063/5.0208955

Published: June 2024

View articletitled, Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality

Journal Articles

Dye-sensitized NiO photocathodes: Research progress, current mechanistic understanding, and research perspectives

K. Zhu, G. Mul, A. Huijser

Chem. Phys. Rev. 5, 021305 (2024)

https://doi.org/10.1063/5.0170022

Published: May 2024

View articletitled, Dye-sensitized NiO photocathodes: Research progress, current mechanistic understanding, and research perspectives

Journal Articles

Ultrafast planarization of photoexcited ligands in metal–organic frameworks gates charge transfer to promote photocatalysis

Logan S. Lancaster, Taylor D. Krueger, Cheng Chen, Emmanuel Nyela Musa, Jacob M. Lessard, Nan-Chieh Chiu, Makenzie T. Nord, Kyriakos C. Stylianou, Chong Fang

Chem. Phys. Rev. 5, 021401 (2024)

https://doi.org/10.1063/5.0194451

Published: May 2024

View articletitled, Ultrafast planarization of photoexcited ligands in metal–organic frameworks gates charge transfer to promote photocatalysis

Includes: Supplementary data

Journal Articles

Advances in functionalized annihilators to extend triplet–triplet annihilation upconversion performances

Wen-Yue Lin, Zhi Huang, Ling Huang, Gang Han

Chem. Phys. Rev. 5, 021301 (2024)

https://doi.org/10.1063/5.0185259

Published: April 2024

View articletitled, Advances in functionalized annihilators to extend triplet–triplet annihilation upconversion performances

Journal Articles

Aggregation-induced emission luminogens for super-resolution imaging

Yunfei Zuo, Ryan T. K. Kwok, Jianwei Sun, Jacky W. Y. Lam, Ben Zhong Tang

Chem. Phys. Rev. 5, 011309 (2024)

https://doi.org/10.1063/5.0170812

Published: February 2024

View articletitled, Aggregation-induced emission luminogens for super-resolution imaging

Journal Articles

The structural and electronic split: Boron vs aluminum hydrides

Anton S. Pozdeev, Ivan A. Popov

Chem. Phys. Rev. 5, 011401 (2024)

https://doi.org/10.1063/5.0189211

Published: February 2024

View articletitled, The structural and electronic split: Boron vs aluminum hydrides

Includes: Supplementary data

Journal Articles

Particle–polymer interactions for 3D printing material design

Kellen Mitchell, Weijian Hua, Erick Bandala, Akhilesh K. Gaharwar, Yifei Jin

Chem. Phys. Rev. 5, 011304 (2024)

https://doi.org/10.1063/5.0179181

Published: January 2024

View articletitled, Particle–polymer interactions for 3D printing material design

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Quantum theory of stimulated Raman scattering microscopy

Rational electrocatalyst design for selective nitrate reduction to ammonia

Stable surfactant monolayers at the electrochemical interfacial double layer across a wide potential range

Self-assembly of architected macromolecules: Bridging a gap between experiments and simulations

Quantum magnetism of spin qubits in S = 1/2 Cu(II) systems in discrete complexes, chains, and metal-organic frameworks

Modulating spin-valley relaxation in WSe₂ with variable thickness VOPc layers

Supramolecular synthons, tectons, and crystal structures of noncovalent organic frameworks

Metal–metal oxide hybrid catalysts for electrocatalytic CO₂ reduction reaction

Constrained nuclear-electronic orbital QM/MM approach for simulating complex systems with quantum nuclear delocalization effects incorporated

Strategies for rational design and applications of transition metal clusters

Perfluoroaryl⋯aryl interaction: The most important subset of π -hole⋯ π bonding

Long carbon–carbon bonds and beyond

Aqueous solution chemistry in silico and the role of data-driven approaches

Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality

Dye-sensitized NiO photocathodes: Research progress, current mechanistic understanding, and research perspectives

Ultrafast planarization of photoexcited ligands in metal–organic frameworks gates charge transfer to promote photocatalysis

Advances in functionalized annihilators to extend triplet–triplet annihilation upconversion performances

Aggregation-induced emission luminogens for super-resolution imaging

The structural and electronic split: Boron vs aluminum hydrides

Particle–polymer interactions for 3D printing material design

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