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The Journal of Physical Chemistry Letters|August 7, 2023
A Ground-State Dual-Descriptor Strategy for Screening Efficient Singlet Fission SystemsFangkun Wang, Yuxiang Bu
The Journal of Physical Chemistry. A|December 1, 2022
Intramolecular Proton Transfer Modulation of Magnetic Spin Coupling Interaction in Photochromic Azobenzene Derivatives with an Ortho-Site Hydroxyl as a ModulatorRabia Malik, Yuxiang Bu
Physical Chemistry Chemical Physics : PCCP|June 29, 2016
Bifurcate localization modes of excess electron in aqueous Ca(2+)amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anionRu Zhang, Yuxiang Bu
The Journal of Chemical Physics|November 20, 2004
Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complexPing Li, Yuxiang Bu
Physical Chemistry Chemical Physics : PCCP|September 5, 2019
Rational magnetic modification of N,N-dioxidized pyrazine ring expanded adenine and thymine: a diradical character induced by base pairing and double protonationDongxiao Chen, Yuxiang Bu
The Journal of Chemical Physics|July 23, 2004
Hydrates of the most stable gas-phase mono- and di-protonated glycine derivatives: origin of no reservation energy bond in glycine-2H2+Hongqi Ai, Yuxiang Bu
Physical Chemistry Chemical Physics : PCCP|January 5, 2021
Electric field controlled uphill electron migration along α-helical oligopeptidesXiufang Song, Yuxiang Bu
The Journal of Physical Chemistry. A|September 2, 2023
Hydrogen-Bonding-Assisted Substituent Engineering for Modulating Magnetic Spin Couplings and Switching in <i>m</i>-Phenylene Nitroxide DiradicalsXiangyun Zheng, Yuxiang Bu
Physical Chemistry Chemical Physics : PCCP|June 19, 2023
Magnetic coupling modulation in <i>meta</i>-nitroxide-functionalized isoalloxazine magnets with redox-active units as efficient side-modulatorsRabia Malik, Yuxiang Bu
The Journal of Physical Chemistry. B|July 21, 2006
Marked variations of dissociation energy and H-bond character of the guanine-cytosine base pair induced by one-electron oxidation and Li+ cation couplingLixiang Sun, Yuxiang Bu
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