Results 1-52 of 52 (Search time: 0.002 seconds).
| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link | |
|---|---|---|---|---|---|---|---|
| 1 | 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 | |||
| 2 | 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 | |||
| 3 | 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 | |||
| 4 | 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 | |||
| 5 | 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 | |||
| 6 | 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 | |||
| 7 | 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 | |||
| 8 | 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 | |||
| 9 | 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 | |||
| 10 | 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 | |||
| 11 | 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 | |||
| 12 | 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 | |||
| 13 | 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 | |||
| 14 | 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 | |||
| 15 | 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 | |||
| 16 | 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 | |||
| 17 | 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 | |||
| 18 | 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 | |||
| 19 | 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 | |||
| 20 | 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 | |||
| 21 | 2020 | From the perspectives of DFT calculations, thermodynamic modeling, and kinetic Monte Carlo simulations: the interaction between hydrogen and Sc2C monolayers | Thong Nguyen-Minh Le; Cheng-chau Chiu; Jer-Lai Kuo | Physical Chemistry Chemical Physics 22, 4387-4401 | |||
| 22 | 2020 | Hydrogen adsorption mechanism of MOF-74 metal–organic frameworks: an insight from first principles calculations | Trang Nguyen-Thuy; Phong Le-Hoang; Nam Hoang Vu; Thong Nguyen-Minh Le; Tan Le Hoang Doan; Jer-Lai Kuo ; Toan T Nguyen; Thang Bach Phan; Duc Nguyen-Manh | RSC Advances 10, 43940-43949 | |||
| 23 | 2021 | Hydrogen enhancing Ga doping efficiency and electron mobility in high-performance transparent conducting Ga-doped ZnO films | Anh Tuan Thanh Pham; Dung Van Hoang; Truong Huu Nguyen; Oanh Kieu Truong Le; Deniz P Wong; Jer-Lai Kuo ; Kuei-Hsien Chen ; Thang Bach Phan; Vinh Cao Tran | Journal of Alloys and Compounds 860:158518 | |||
| 24 | 2022 | Hydrogen roles approaching ideal electrical and optical properties for undoped and Al doped ZnO thin films | Dung Van Hoang; Nam Hoang Vu; Nga Thi Do; Anh Tuan Thanh Pham; Truong Huu Nguyen; Jer-Lai Kuo ; Thang Bach Phan; Vinh Cao Tran | Journal of Materiomics 8(1), 123-125 | |||
| 25 | 2020 | Improved agreement between experimental and computational results for collision-induced dissociation mass spectrometry of cation-tagged hexoses | Cheng-chau Chiu; Chih-Kai Lin; Jer-Lai Kuo | Physical Chemistry Chemical Physics 22(13), 6928-6941 | |||
| 26 | 2019 | Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study | Bingbing Zhang; Qian-Rui Huang; Shukang Jiang; Li-Wei Chen; Po-Jen Hsu; Chong Wang; Ce Hao; Xiangtao Kong; Dongxu Dai; Xueming Yang; Jer-Lai Kuo ; Ling Jiang | The Journal of chemical physics 150(6):064317 | |||
| 27 | 2021 | Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O–Krn)+ (n = 1–3): Hemibond Formation of the Water Radical Cation | Jing-Min Liu; Tomoki Nishigori; Toshihiko Maeyama; Qian-Rui Huang; Marusu Katada; Jer-Lai Kuo ; Asuka Fujii | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12(33), 7997-8002 | |||
| 28 | 2022 | Infrared spectroscopy and theoretical structure analyses of protonated fluoroalcohol clusters: the impact of fluorination on the hydrogen bond networks | Takahiro Shinkai; Po-Jen Hsu; Asuka Fujii; Jer-Lai Kuo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24, 12631-12644 | |||
| 29 | 2022 | Infrared–vacuum ultraviolet spectroscopy of the C–H stretching vibrations of jet-cooled aromatic azine molecules and the anharmonic analysis | Jun-Ying Feng; Qian-Rui Huang; Ha-Quyen Nguyen; Jer-Lai Kuo ; Takayuki Ebata | Journal of the Chinese Chemical Society 69(1), 160-172 | |||
| 30 | 2020 | IR–VUV spectroscopy of pyridine dimers, trimers and pyridine–ammonia complexes in a supersonic jet | Jun-Ying Feng; Yuan-Pern Lee ; Chao-Yuan Zhu; Po-Jen Hsu; Jer-Lai Kuo ; Takayuki Ebata | Physical Chemistry Chemical Physics 22(37), 21520-21534 | |||
| 31 | 2021 | Is Dissociation of HCl in DMSO Clusters Bistable? | Debopriya Sadhukhan; Po-Jen Hsu; Jer-Lai Kuo ; G. Naresh Patwari | JOURNAL OF PHYSICAL CHEMISTRY A 125(48), 10351-10358 | |||
| 32 | 2021 | Lithium and sodium intercalation in a 2D NbSe2 bilayer-stacked homostructure: comparative study of ionic adsorption and diffusion behavior | Darwin Barayang Putungan; Jer-Lai Kuo | Physical Chemistry Chemical Physics 23(35), 19811-19818 | |||
| 33 | 2020 | Mechanistic Insight on the Formation of a Solid Electrolyte Interphase (SEI) by an Acetonitrile-Based Superconcentrated [Li][TFSI] Electrolyte near Lithium Metal | Harender S Dhattarwal; Yun-Wen Chen; Jer-Lai Kuo ; Hemant K Kashyap | The Journal of Physical Chemistry C 124(50), 27495-27502 | |||
| 34 | 2022 | Mechanistic Insight on the Stability of Ether and Fluorinated Ether Solvent-Based Lithium Bis(fluoromethanesulfonyl) Electrolytes near Li Metal Surface | Harender S Dhattarwal; Jer-Lai Kuo ; Hemant K Kashyap | JOURNAL OF PHYSICAL CHEMISTRY C 126(20), 8953-8963 | |||
| 35 | 2019 | 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 | Diem Thi-Xuan Dang; Huong Thi-Diem Nguyen; Nam Thoai; Jer-Lai Kuo ; Nhung Tuyet Thi Nguyen; Duc Nguyen-Manh | Physical Chemistry Chemical Physics 22(3), 1598-1610 | |||
| 36 | 2021 | Size of the hydrogen bond network in liquid methanol: a quantum cluster equilibrium model with extensive structure search | Soon Teh; Po-Jen Hsu; Jer-Lai Kuo | Physical Chemistry Chemical Physics 23, 9166-9175 | |||
| 37 | 2022 | Spectral Signatures of Protonated Noble Gas Clusters of Ne, Ar, Kr, and Xe: From Monomers to Trimers | Jake A Tan; Jer-Lai Kuo | MOLECULES 27(10), 3198 | |||
| 38 | 2021 | Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton‐Bound Dimers | Qian-Rui Huang; Ryunosuke Shishido; Chih-Kai Lin; Chen-Wei Tsai; Jake A Tan; Asuka Fujii; Jer-Lai Kuo | Angewandte Chemie International Edition 60(4), 1936-1941 | |||
| 39 | 2021 | Structural and vibrational characterization of HCO+ and Rg–HCO+, Rg = {He, Ne, Ar, Kr, and Xe} | Jake A Tan; Soon Teh; Jer-Lai Kuo | JOURNAL OF CHEMICAL PHYSICS 155(17):174306 | |||
| 40 | 2020 | Structure and Vibrational Spectra of ArnH+ (n = 2–3) | Jake A Tan; Jer-Lai Kuo | The Journal of Physical Chemistry A 124(38), 7726-7734 | |||
| 41 | 2023 | 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 | Jun-Ying Feng; Yuan-Pern Lee; Po-Jen Hsu; Jer-Lai Kuo ; Takayuki Ebata | The Journal of Physical Chemistry A 127(19), 4291-4301 | |||
| 42 | 2021 | Structures of Pyridine–Water Clusters Studied with Infrared–Vacuum Ultraviolet Spectroscopy | Jun-Ying Feng; Yuan-Pern Lee ; Henryk A Witek; Po-Jen Hsu; Jer-Lai Kuo ; Takayuki Ebata | The Journal of Physical Chemistry A 125(34), 7489-7501 | |||
| 43 | 2020 | 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 | Diem Thi-Xuan Dang; Hieu Cao Dong; Yoshiyuki Kawazoe; Jer-Lai Kuo ; Duc Nguyen-Manh | RSC Advances 10, 34690-34701 | |||
| 44 | 2019 | Toward Closing the Gap between Hexoses and N-Acetlyhexosamines: Experimental and Computational Studies on the Collision-Induced Dissociation of Hexosamines | 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 | The Journal of Physical Chemistry A 123(31), 6683-6700 | |||
| 45 | 2022 | Understanding Fermi resonances behind the complex vibrational spectra of the methyl groups in simple alcohol, thiol, and their ethers | Qian-Rui Huang; Yoshiyuki Matsuda; Riku Eguchi; Asuka Fujii; Jer-Lai Kuo | JOURNAL OF THE CHINESE CHEMICAL SOCIETY 69(1), 42-50 | |||
| 46 | 2021 | Understanding Fermi resonances in the complex vibrational spectra of the methyl groups in methylamines | Qian-Rui Huang; Tomoya Endo; Saurabh Mishra; Bingbing Zhang; Li-Wei Chen; Asuka Fujii; Ling Jiang; G Naresh Patwari; Yoshiyuki Matsuda; Jer-Lai Kuo | Physical Chemistry Chemical Physics 23(6), 3739-3747 | |||
| 47 | 2019 | Unexpected Dissociation Mechanism of Sodiated N-Acetylglucosamine and N-Acetylgalactosamine | Cheng-Chau Chiu; Shang-Ting Tsai; Po-Jen Hsu; HaiThi Huynh; Jien-Lian Chen; HuuTrong Phan; Shih-Pei Huang; Hou-Yu Lin; Jer-Lai Kuo ; Chi-Kung Ni | The Journal of Physical Chemistry A 123(16), 3441-3453 | |||
| 48 | 2020 | Unveiling the crystallographic facet dependence of the photoelectrochemical glycerol oxidation on bismuth vanadate | Truong-Giang Vo; Chi-Chang Kao; Jer-Lai Kuo ; Cheng-chau Chiu; Chia-Ying Chiang | Applied Catalysis B: Environmental 278:119303 | |||
| 49 | 2020 | Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band | Qian-Rui Huang; Ying-Cheng Li; Tomoki Nishigori; Marusu Katada; Asuka Fujii; Jer-Lai Kuo | The Journal of Physical Chemistry Letters 11(23), 10067-10072 | |||
| 50 | 2021 | Vibrational Signature of Dynamic Coupling of a Strong Hydrogen Bond | 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 | The Journal of Physical Chemistry Letters 12(9), 2259-2265 | |||
| 51 | 2020 | Vibrational spectroscopic signatures of hydrogen bond induced NH stretch–bend Fermi-resonance in amines: The methylamine clusters and other N–H⋯ N hydrogen-bonded complexes | Saurabh Mishra; Ha-Quyen Nguyen; Qian-Rui Huang; Chih-Kai Lin; Jer-Lai Kuo ; G Naresh Patwari | The Journal of Chemical Physics 153(19):194301 | |||
| 52 | 2020 | Vibrational spectroscopy of protonated amine–water clusters: tuning Fermi resonance and lighting up dark states | Chih-Kai Lin; Ryunosuke Shishido; Qian-Rui Huang; Asuka Fujii; Jer-Lai Kuo | Physical Chemistry Chemical Physics 22, 22035-22046 |
