Jer-Lai Kuo

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 44

Top Topics

Electron Transfer

Room Temperature

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo
A first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials. Physical chemistry chemical physics : PCCP (2024)
Qian-Rui Huang, Kazuyoshi Yano, Yaodi Yang, Asuka Fujii, Jer-Lai Kuo
Near-infrared spectroscopy of H 3 O + ⋯X n (X = Ar, N 2 , and CO, n = 1-3). Physical chemistry chemical physics : PCCP (2024)
Qian-Rui Huang, Kazuyoshi Yano, Yaodi Yang, Asuka Fujii, Jer-Lai Kuo
Near-infrared spectroscopy of H 3 O + ⋯X n (X = Ar, N 2 , and CO, n = 1-3). Physical chemistry chemical physics : PCCP 26 (14) (2024)
Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo
Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine using first-principles accuracy assisted by the use of neural network potentials. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo
Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine using first-principles accuracy assisted by the use of neural network potentials. Physical chemistry chemical physics : PCCP (2024)
Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo
A first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials. Physical chemistry chemical physics : PCCP 26 (12) (2024)
Qian-Rui Huang, Kazuyoshi Yano, Yaodi Yang, Asuka Fujii, Jer-Lai Kuo
Near-infrared spectroscopy of H 3 O + ⋯X n (X = Ar, N 2 , and CO, n = 1-3). Physical chemistry chemical physics : PCCP 26 (14) (2024)
Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo
Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine using first-principles accuracy assisted by the use of neural network potentials. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo
Searching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine using first-principles accuracy assisted by the use of neural network potentials. Physical chemistry chemical physics : PCCP 26 (14) (2024)
Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo
A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials. Physical chemistry chemical physics : PCCP 25 (7) (2023)
Jake A Tan, Rona F Barbarona, Jer-Lai Kuo
Approaching the "Zundel" Limit: Tuning the Vibrational Coupling in N 2 H + Ng, Ng = {He, Ne, Ar, Kr, Xe, and Rn}. The journal of physical chemistry. A (2023)
Jun-Ying Feng, Yuan-Pern Lee, Po-Jen Hsu, Jer-Lai Kuo, Takayuki Ebata
Structures of (Pyrazine) 2 and (Pyrazine)(Benzene) Dimers Investigated with Infrared-Vacuum Ultraviolet Spectroscopy and Quantum-Chemical Calculations: Competition among π-π, CH···π, and CH···N Interactions. The journal of physical chemistry. A (2023)
Pei-Kang Tsou, Hai Thi Huynh, Huu Trong Phan, Jer-Lai Kuo
A self-adapting first-principles exploration on the dissociation mechanism in sodiated aldohexose pyranoses assisted with neural network potentials. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Pei-Kang Tsou, Hai Thi Huynh, Huu Trong Phan, Jer-Lai Kuo
A self-adapting first-principles exploration on the dissociation mechanism in sodiated aldohexose pyranoses assisted with neural network potentials. Physical chemistry chemical physics : PCCP 25 (4) (2023)
Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo
A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials. Physical chemistry chemical physics : PCCP 25 (7) (2023)
Huu Trong Phan, Pei-Kang Tsou, Po-Jen Hsu, Jer-Lai Kuo
A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials. Physical chemistry chemical physics : PCCP (2023)
Pei-Kang Tsou, Hai Thi Huynh, Huu Trong Phan, Jer-Lai Kuo
A self-adapting first-principles exploration on the dissociation mechanism in sodiated aldohexose pyranoses assisted with neural network potentials. Physical chemistry chemical physics : PCCP (2023)
Jun-Ying Feng, Yuan-Pern Lee, Po-Jen Hsu, Jer-Lai Kuo, Takayuki Ebata
Structures of (Pyrazine) 2 and (Pyrazine)(Benzene) Dimers Investigated with Infrared-Vacuum Ultraviolet Spectroscopy and Quantum-Chemical Calculations: Competition among π-π, CH···π, and CH···N Interactions. The journal of physical chemistry. A 127 (19) (2023)
Hai Thi Huynh, Shang-Ting Tsai, Po-Jen Hsu, Anik Biswas, Huu Trong Phan, Jer-Lai Kuo, Chi-Kung Ni, Cheng-Chau Chiu
Collision-induced dissociation of Na + -tagged ketohexoses: experimental and computational studies on fructose. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Jake A Tan, Jer-Lai Kuo
Spectral Signatures of Protonated Noble Gas Clusters of Ne, Ar, Kr, and Xe: From Monomers to Trimers. Molecules (Basel, Switzerland) 27 (10) (2022)
Chih-Kai Lin, Jer-Lai Kuo
Anharmonic IR spectra of solvated ammonium and aminium ions: resemblance between water and bisulfate solvations. Physical chemistry chemical physics : PCCP 24 (34) (2022)
Shweta Jindal, Po-Jen Hsu, Huu Trong Phan, Pei-Kang Tsou, Jer-Lai Kuo
Capturing the potential energy landscape of large size molecular clusters from atomic interactions up to a 4-body system using deep learning. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Takahiro Shinkai, Po-Jen Hsu, Asuka Fujii, Jer-Lai Kuo
Infrared spectroscopy and theoretical structure analyses of protonated fluoroalcohol clusters: the impact of fluorination on the hydrogen bond networks. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Chih-Kai Lin, Qian-Rui Huang, Ying-Cheng Li, Ha-Quyen Nguyen, Jer-Lai Kuo, Asuka Fujii
Anharmonic Coupling Revealed by the Vibrational Spectra of Solvated Protonated Methanol: Fermi Resonance, Combination Bands, and Isotope Effect. The journal of physical chemistry. A 125 (9) (2021)
Jun-Ying Feng, Yuan-Pern Lee, Henryk A Witek, Po-Jen Hsu, Jer-Lai Kuo, Takayuki Ebata
Structures of Pyridine-Water Clusters Studied with Infrared-Vacuum Ultraviolet Spectroscopy. The journal of physical chemistry. A 125 (34) (2021)
Chih-Kai Lin, Qian-Rui Huang, Michitoshi Hayashi, Jer-Lai Kuo
An ab initio anharmonic approach to IR, Raman and SFG spectra of the solvated methylammonium ion. Physical chemistry chemical physics : PCCP 23 (45) (2021)
Thong Nguyen-Minh Le, Cheng-Chau Chiu, Jer-Lai Kuo
A decomposition mechanism for Mn2(DSBDC) metal-organic frameworks in the presence of water molecules. Physical chemistry chemical physics : PCCP 23 (39) (2021)
Darwin Barayang Putungan, Jer-Lai Kuo
Lithium and sodium intercalation in a 2D NbSe2 bilayer-stacked homostructure: comparative study of ionic adsorption and diffusion behavior. Physical chemistry chemical physics : PCCP 23 (35) (2021)
Jer-Lai Kuo
Disentangling the Complex Vibrational Spectra of Hydrogen-Bonded Clusters of 2-Pyridone with Ab Initio Structural Search and Anharmonic Analysis. The journal of physical chemistry. A 125 (20) (2021)
Jing-Min Liu, Tomoki Nishigori, Toshihiko Maeyama, Qian-Rui Huang, Marusu Katada, Jer-Lai Kuo, Asuka Fujii
Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O-Krn)+ (n = 1-3): Hemibond Formation of the Water Radical Cation. The journal of physical chemistry letters 12 (33) (2021)
Debopriya Sadhukhan, Po-Jen Hsu, Jer-Lai Kuo, G Naresh Patwari
Is Dissociation of HCl in DMSO Clusters Bistable? The journal of physical chemistry. A 125 (48) (2021)
Shukang Jiang, Mingzhi Su, Shuo Yang, Chong Wang, Qian-Rui Huang, Gang Li, Hua Xie, Jiayue Yang, Guorong Wu, Weiqing Zhang, Zhaojun Zhang, Jer-Lai Kuo, Zhi-Feng Liu, Dong H Zhang, Xueming Yang, Ling Jiang
Vibrational Signature of Dynamic Coupling of a Strong Hydrogen Bond. The journal of physical chemistry letters 12 (9) (2021)
Qian-Rui Huang, Ying-Cheng Li, Tomoki Nishigori, Marusu Katada, Asuka Fujii, Jer-Lai Kuo
Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band. The journal of physical chemistry letters 11 (23) (2020)
Qian-Rui Huang, Ryunosuke Shishido, Chih-Kai Lin, Chen-Wei Tsai, Jake A Tan, Asuka Fujii, Jer-Lai Kuo
Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton-Bound Dimers. Angewandte Chemie (International ed. in English) 60 (4) (2020)
Trang Thuy Nguyen, Phong Le-Hoang, Nam Hoang Vu, Thong Nguyen-Minh Le, Tan Le Hoang Doan, Jer-Lai Kuo, Toan The Nguyen, Thang Bach Phan, Duc Manh Nguyen
Hydrogen adsorption mechanism of MOF-74 metal-organic frameworks: an insight from first principles calculations. RSC advances 10 (72) (2020)
Diem Thi-Xuan Dang, Hieu Cao Dong, Yoshiyuki Kawazoe, Jer-Lai Kuo, Duc Manh Nguyen
The electronic structures and magnetic properties of mixed-valence Fe-based metal-organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations. RSC advances 10 (57) (2020)
Diem Thi-Xuan Dang, Huong Thi-Diem Nguyen, Nam Thoai, Jer-Lai Kuo, Nhung Tuyet Thi Nguyen, Duc Manh Nguyen
Mechano-chemical stability and water effect on gas selectivity in mixed-metal zeolitic imidazolate frameworks: a systematic investigation from van der Waals corrected density functional theory. Physical chemistry chemical physics : PCCP 22 (3) (2020)
Jake A Tan, Jer-Lai Kuo
Structure and Vibrational Spectra of ArnH+ (n = 2-3). The journal of physical chemistry. A 124 (38) (2020)
Jake A Tan, Jer-Lai Kuo
A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg-H+-Rg), Rg = {Ne, Ar, Kr, and Xe}. The Journal of chemical physics 150 (12) (2019)
Cheng-Chau Chiu, Hai Thi Huynh, Shang-Ting Tsai, Hou-Yu Lin, Po-Jen Hsu, Huu Trong Phan, Arya Karumanthra, Hayden Thompson, Yu-Chi Lee, Jer-Lai Kuo, Chi-Kung Ni
Toward Closing the Gap between Hexoses and N-Acetlyhexosamines: Experimental and Computational Studies on the Collision-Induced Dissociation of Hexosamines. The journal of physical chemistry. A 123 (31) (2019)
Cheng-Chau Chiu, Shang-Ting Tsai, Po-Jen Hsu, Hai Thi Huynh, Jien-Lian Chen, Huu Trong Phan, Shih-Pei Huang, Hou-Yu Lin, Jer-Lai Kuo, Chi-Kung Ni
Unexpected Dissociation Mechanism of Sodiated N-Acetylglucosamine and N-Acetylgalactosamine. The journal of physical chemistry. A 123 (16) (2019)
Tingting Yin, Bo Liu, Jiaxu Yan, Yanan Fang, Minghua Chen, Wee Kiang Chong, Shaojie Jiang, Jer-Lai Kuo, Jiye Fang, Pei Liang, Shuhuai Wei, Kian Ping Loh, Tze Chien Sum, Timothy J White, Ze Xiang Shen
Pressure-Engineered Structural and Optical Properties of Two-Dimensional (C4H9NH3)2PbI4 Perovskite Exfoliated nm-Thin Flakes. Journal of the American Chemical Society 141 (3) (2018)
Asuka Fujii, Natsuko Sugawara, Po-Jen Hsu, Takuto Shimamori, Ying-Cheng Li, Toru Hamashima, Jer-Lai Kuo
Hydrogen bond network structures of protonated short-chain alcohol clusters. Physical chemistry chemical physics : PCCP 20 (22) (2018)
Jake A Tan, Jer-Lai Kuo
Multilevel Approach for Direct VSCF/VCI MULTIMODE Calculations with Applications to Large "Zundel" Cations. Journal of chemical theory and computation 14 (12) (2018)