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Physical Review Letters
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April 7, 2010
Atomistic oxidation mechanism of a carbon nanotube in nitric acid
Yosuke Kanai, Vaikunth R Khalap, Philip G Collins, et al.
The Journal of Chemical Physics
|
November 19, 2024
Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems
Jianhang Xu, Ruiyi Zhou, Tao E Li, et al.
The Journal of Chemical Physics
|
July 10, 2024
Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT
Christopher Shepard, Ruiyi Zhou, John Bost, et al.
The Journal of Chemical Physics
|
February 3, 2020
All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
Chi Liu, Jan Kloppenburg, Yi Yao, et al.
Physical Review Letters
|
December 22, 2023
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems
Jianhang Xu, Ruiyi Zhou, Volker Blum, et al.
The Journal of Chemical Physics
|
June 15, 2022
Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations
Jianhang Xu, Ruiyi Zhou, Zhen Tao, et al.
Physical Review Letters
|
October 20, 2018
Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites
Chi Liu, William Huhn, Ke-Zhao Du, et al.
Inorganic Chemistry
|
July 18, 2013
Atom transfer radical polymerization preparation and photophysical properties of polypyridylruthenium derivatized polystyrenes
Zhen Fang, Akitaka Ito, Shahar Keinan, et al.
ACS Nano
|
April 13, 2011
Single-molecule-resolved structural changes induced by temperature and light in surface-bound organometallic molecules designed for energy storage
Jongweon Cho, Luis Berbil-Bautista, Ivan V Pechenezhskiy, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 2, 2019
Excitation energy-dependent photocurrent switching in a single-molecule photodiode
Bing Shan, Animesh Nayak, Olivia F Williams, et al.
Page
of 7
Search research articles
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Showing results (51-60 of 64) with videos related to
Sort By:
Page
of 7
Physical Review Letters
|
April 7, 2010
Atomistic oxidation mechanism of a carbon nanotube in nitric acid
Yosuke Kanai, Vaikunth R Khalap, Philip G Collins, et al.
The Journal of Chemical Physics
|
November 19, 2024
Lagrangian formulation of nuclear-electronic orbital Ehrenfest dynamics with real-time TDDFT for extended periodic systems
Jianhang Xu, Ruiyi Zhou, Tao E Li, et al.
The Journal of Chemical Physics
|
July 10, 2024
Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT
Christopher Shepard, Ruiyi Zhou, John Bost, et al.
The Journal of Chemical Physics
|
February 3, 2020
All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
Chi Liu, Jan Kloppenburg, Yi Yao, et al.
Physical Review Letters
|
December 22, 2023
First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems
Jianhang Xu, Ruiyi Zhou, Volker Blum, et al.
The Journal of Chemical Physics
|
June 15, 2022
Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations
Jianhang Xu, Ruiyi Zhou, Zhen Tao, et al.
Physical Review Letters
|
October 20, 2018
Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites
Chi Liu, William Huhn, Ke-Zhao Du, et al.
Inorganic Chemistry
|
July 18, 2013
Atom transfer radical polymerization preparation and photophysical properties of polypyridylruthenium derivatized polystyrenes
Zhen Fang, Akitaka Ito, Shahar Keinan, et al.
ACS Nano
|
April 13, 2011
Single-molecule-resolved structural changes induced by temperature and light in surface-bound organometallic molecules designed for energy storage
Jongweon Cho, Luis Berbil-Bautista, Ivan V Pechenezhskiy, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 2, 2019
Excitation energy-dependent photocurrent switching in a single-molecule photodiode
Bing Shan, Animesh Nayak, Olivia F Williams, et al.
Page
of 7