| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2021 | A decomposition mechanism for Mn2(DSBDC) metal–organic frameworks in the presence of water molecules | Thong Nguyen-Minh Le; Cheng-chau Chiu; Jer-Lai Kuo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23(39), 22794-22803 | | | |
| 2023 | A first-principles exploration of the conformational space of sodiated pyranose assisted by neural network potentials | Huu Trong Phan; Pei-Kang Tsou; Po-Jen Hsu; Jer-Lai Kuo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25(7), 5817-5826 | | | |
| 2019 | A Liquid Crucible Model for Aggregation of Phenylacetylene in the Gas Phase | Saurabh Mishra; Dipak Kumar Sahoo; Po-Jen Hsu; Yoshiyuki Matsuda; Jer-Lai Kuo ; Himansu S Biswal; G Naresh Patwari | Physical Chemistry Chemical Physics 21, 13623-13632 | | | |
| 2022 | A self-adapting first-principles exploration on the dissociation mechanism in sodiated aldohexose pyranoses assisted with neural network potentials | Pei-Kang Tsou; Hai Thi Huynh; Huu Trong Phan; Jer-Lai Kuo | Physical Chemistry Chemical Physics 25, 3332-3342 | | | |
| 2019 | A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg–H+–Rg), Rg = {Ne, Ar, Kr, and Xe} | Jake A Tan; Jer-Lai Kuo | The Journal of Chemical Physics 150(12):124305 | | | |
| 2023 | Ab initio anharmonic analysis of complex vibrational spectra of phenylacetylene and fluorophenylacetylenes in the acetylenic and aromatic C–H stretching region | Sumitra Singh; Qian-Rui Huang; Jake A Tan; Jer-Lai Kuo ; G Naresh Patwari | The Journal of Chemical Physics 159(10):104302 | | | |
| 2021 | An ab initio anharmonic approach to IR, Raman and SFG spectra of the solvated methylammonium ion | Chih-Kai Lin; Qian-Rui Huang; Michitoshi Hayashi; Jer-Lai Kuo | Physical Chemistry Chemical Physics 23(45), 25736-25747 | | | |
| 2020 | Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments | Chih-Kai Lin; Qian-Rui Huang; Jer-Lai Kuo | Physical Chemistry Chemical Physics 22, 24059-24069 | | | |
| 2021 | Anharmonic Coupling Revealed by the Vibrational Spectra of Solvated Protonated Methanol: Fermi Resonance, Combination Bands, and Isotope Effect | Chih-Kai Lin; Qian-Rui Huang; Ying-Cheng Li; Ha-Quyen Nguyen; Jer-Lai Kuo ; Asuka Fujii | The Journal of Physical Chemistry A 125(9), 1910-1918 | | | |
| 2022 | Anharmonic IR spectra of solvated ammonium and aminium ions: resemblance between water and bisulfate solvations | Chih-Kai Lin; Jer-Lai Kuo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24(34), 20318-20325 | | | |
| 2023 | Approaching the “Zundel” Limit: Tuning the Vibrational Coupling in N2H+Ng, Ng = {He, Ne, Ar, Kr, Xe, and Rn} | Jake A Tan; Rona F Barbarona; Jer-Lai Kuo | The Journal of Physical Chemistry A 127(28), 5805-5814 | | | |
| 2022 | Capturing the potential energy landscape of large size molecular clusters from atomic interactions up to a 4-body system using deep learning | Shweta Jindal; Po-Jen Hsu; Huu Trong Phan; Pei-Kang Tsou; Jer-Lai Kuo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24, 27263-27276 | | | |
| 2022 | Collision-induced dissociation of Na+-tagged ketohexoses: experimental and computational studies on fructose | Hai Thi Huynh; Shang-Ting Tsai; Po-Jen Hsu; Anik Biswas; Huu Trong Phan; Jer-Lai Kuo ; Chi-Kung Ni ; Cheng-chau Chiu | Physical Chemistry Chemical Physics 24(35), 20856-20866 | | | |
| 2021 | Collision-induced dissociation of xylose and its applications in linkage and anomericity identification | Hock-Seng Nguan; Shang-Ting Tsai; Jien-Lian Chen; Po-Jen Hsu; Jer-Lai Kuo ; Chi-Kung Ni | Physical Chemistry Chemical Physics 23, 3485-3495 | | | |
| 2021 | Deconstructing Vibrational Motions on the Potential Energy Surfaces of Hydrogen-Bonded Complexes | Bingbing Zhang; Shuo Yang; Qian-Rui Huang; Shukang Jiang; Rongjun Chen; Xueming Yang; Dong H Zhang; Zhaojun Zhang; Jer-Lai Kuo ; Ling Jiang | CCS Chemistry 3(1), 829-835 | | | |
| 2021 | Dipole moment enhanced π–π stacking in fluorophenylacetylenes is carried over from gas-phase dimers to crystal structures propagated through liquid like clusters | Sumitra Singh; Po-Jen Hsu; Jer-Lai Kuo ; G Naresh Patwari | Physical Chemistry Chemical Physics 23, 9938-9947 | | | |
| 2021 | Disentangling the Complex Vibrational Spectra of Hydrogen-Bonded Clusters of 2-Pyridone with Ab Initio Structural Search and Anharmonic Analysis | Jer-Lai Kuo | JOURNAL OF PHYSICAL CHEMISTRY A 125(20), 4306-4312 | | | |
| 2020 | Effects of mixing between short-chain and branched-chain alcohols in protonated clusters | Po-Jen Hsu; Takahiro Shinkai; Pei-Han Tai; Asuka Fujii; Jer-Lai Kuo | Physical Chemistry Chemical Physics 22(23), 13223-13239 | | | |
| 2023 | Electronic properties of 3d transition metal dihalide monolayers predicted by DFT methods: Is there a pattern or are the results random? | Cheng-chau Chiu; Chung-Yu Wang; Bo-Jie Huang; Jer-Lai Kuo | JOURNAL OF THE CHINESE CHEMICAL SOCIETY 70(3), 359-371 | | | |
| 2021 | Fermi resonance switching in KrH+Rg and XeH+Rg (Rg = Ne, Ar, Kr, and Xe) | Jake A Tan; Jer-Lai Kuo | The Journal of Chemical Physics 154(13):134302 | | | |
