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Journal of Chemical Theory and Computation|February 28, 2020
Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot ApplicationsQuan Manh Phung, Yuki Komori, Takeshi Yanai, et al.
Chemical Science|June 4, 2021
Enantioseparation and chiral induction in Ag<sub>29</sub> nanoclusters with intrinsic chiralityHiroto Yoshida, Masahiro Ehara, U Deva Priyakumar, et al.
The Journal of Chemical Physics|July 23, 2004
Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited statesMayumi Ishida, Kazuo Toyota, Masahiro Ehara, et al.
The Journal of Chemical Physics|July 11, 2025
Antisymmetry rules of response properties in certain chemical spacesTakafumi Shiraogawa, Simon León Krug, Masahiro Ehara, et al.
The Journal of Chemical Physics|May 5, 2007
Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicalsYuhki Ohtsuka, Piotr Piecuch, Jeffrey R Gour, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|February 5, 2014
Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positionsMalinee Promkatkaew, Songwut Suramitr, Thitinun Karpkird, et al.
Chemcatchem|May 19, 2017
A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M<sub>1</sub>/γ-Al<sub>2</sub>O<sub>3</sub> (M=Pd, Fe, Co, and Ni)Tao Yang, Ryoichi Fukuda, Saburo Hosokawa, et al.
Physical Chemistry Chemical Physics : PCCP|November 18, 2020
Deep learning enabled inorganic material generatorYashaswi Pathak, Karandeep Singh Juneja, Girish Varma, et al.
Angewandte Chemie (International Ed. in English)|June 28, 2022
Self-Regulated Pathway-Dependent Chirality Control of Silver NanoclustersTakuya Nakashima, Riku Tanibe, Hiroto Yoshida, et al.
Inorganic Chemistry|August 7, 2019
In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc<sub>2</sub>UX@<i>I</i><sub></sub>(31924)-C<sub>80</sub> (X = C, N)Yao-Xiao Zhao, Kun Yuan, Meng-Yang Li, et al.
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