生化分子質譜與光譜學實驗室
Laboratory for Mass Spectrometric and Spectroscopic Studies of Biomolecules

Our published papers related to two-color resonant two-photon mass-analyzed threshold ionization (MATI) spectroscopy

  1. Ionization of decamethylmanganocene: Insights from the DFT-assistedlaser spectroscopy”, Sergey Yu. Ketkov,* Sheng-Yuan Tzeng, Elena A. Rychagova, and Wen Bih Tzeng*, Molecules 27, 6226 (2022). [13 pages]

  2. Laser spectroscopic and computational insights into unexpected structural behaviors of sandwich complexes on ionization”, Sergey Yu. Ketkov,* Sheng-Yuan Tzeng, Elena A. Rychagova, Gennady V. Markin, Sergey Makarov, and Wen Bih Tzeng*, Dalton Trans. 50, 1072910736 (2021).

  3. Two-color resonant two-photon mass-analyzed threshold ionization of 2,4-difluoroanisole and the additivity relation of ionization energy, Sheng Yuan Tzeng, Kaito Takahashi, and Wen Bih Tzeng, J. Phys. Chem. A 124, 1051710526 (2020). [Cheuk-Yiu Ng festschrift]

  4. “Quantum-chemical modeling of the mass-analyzed threshold ionization spectra of ferrocene and cobaltocene”, Sergey Y. Ketkov,* Elena A. Rychagova, G. Yu. Zhigulin, Sheng-Yuan Tzeng and Wen-Bih Tzeng*, High Energy Chemistry 54, 414420 (2020).

  5. Cation spectra of p-chloroanisole and the heavy atom effect on ionization energy, Sheng Yuan Tzeng, Kaito Takahashi, and Wen Bih Tzeng, Chem. Phys. Lett. 731, 136626 (2019).

  6. Cation vibrations of 1-methylnaphthalene and 2-methylnaphthalene through mass-analyzed threshold ionization spectroscopy, Sheng Yuan Tzeng, Vidya S. Shivatare, and Wen Bih Tzeng, J. Phys. Chem. A 123, 59695979 (2019). [Hai-Lung Dai festschrift]

  7. Rydberg state mediated multiphoton ionization of (h7-C7H7)(h5-C5H5)Cr: DFT-supported experimental insights into molecular and electronic structures of excited sandwich complexes, Sergey Yu. Ketkov,* Sheng-Yuan Tzeng, Elena A. Rychagova,  Lyubov' V. Kalakutskaya, Marco Fuss, Holger Braunschweig, and Wen-Bih Tzeng*, Phys. Chem. Chem. Phys. 21, 96659671 (2019). [hot paper, front cover]

  8. Mass-analyzed threshold ionization spectroscopy of trans-o-methylanisole, Chen Qin, Sheng-Yuan Tzeng, Bing Zhang, Wen-Bih Tzeng, J. Mol. Spectrosc. 355, 2631 (2019).

  9. TD DFT insights into unusual properties of excited sandwich complexes: Structural transformations and vibronic interactions in Rydberg-state bis(h6-benzene)chromium, Sergey Yu. Ketkov,* Elena A. Rychagova, Sheng-Yuan Tzeng and Wen-Bih Tzeng*, Phys. Chem. Chem. Phys. 20, 2398823997 (2018).

  10. Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 3,5-difluorophenol”, Wei Chih Peng, Pei Ying Wu, Shen Yuan Tzeng, and Wen Bih Tzeng, Chem. Phys. Lett. 700, 145148 (2018).

  11. DFT-supported threshold ionization study of chromium biphenyl complexes: Unveiling the mechanisms of substituent influence on redox properties of sandwich compounds”, Sergey Yu. Ketkov,* Sheng Y. Tzeng, Pei Yin Wu, Gennady V. Markin, and Wen B. Tzeng,* Chem. Eur. J. 23, 1366913675 (2017). [hot paper, back cover]

  12. Two-color resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 4-chlorostyrene”, Pei Ying Wu, Hsin Hsuan Huang, King Chuen Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 682, 3437 (2017).

  13. Ionization energy and active cation vibrations of trans-2-fluorostyrene”, Pei Ying Wu, Sheng Yuan Tzeng, Ya Chu Hsu, Wen Bih Tzeng, J. Mol. Spectrosc. 332, 37 (2017).

  14. Rotamers of 2,5-difluorophenol studied using mass-analyzed threshold ionization spectroscopy”, Pei-Ying Wu, Sheng-Yuan Tzeng, Ching-Yun Tsai, Wen-Bih Tzeng, Acta. Phys. Chim. Sin. 32, 893900 (2016).

  15. Fine substituent effects in sandwich complexes: First threshold ionization study of monosubstituted chromium bisarene compounds”, Sergey Yu. Ketkov, Gennady V. Markin, Sheng Y. Tzeng, and Wen B. Tzeng, Chem. Eur. J. 22, 46904694 (2016). [communication, hot paper, front cover]

  16. Selected cis- and trans-3-fluorostyrene rotamers studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Pei Ying Wu  and Wen Bih Tzeng, J. Mol. Spectrosc. 316, 7278 (2015).

  17. Identification of four rotamers of m-methoxystyrene by resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy”, Yanqi Xu, Sheng Yuan Tzeng, Vidya Shivatare, Kaito Takahashi, Bing Zhang, and Wen Bih Tzeng, J. Chem. Phys.  142, 124314 (2015). [9 pages]

  18. Electronic excited states of chromium and vanadium bisarene complexes revisited: Interpretation of the absorption spectra on the basis of TD-DFT calculations”, S. Ketkov, N. Isachenkov, E. Rychagova, and Wen Bih Tzeng, Dalton Trans.  43, 1770317711 (2014).

  19. Rotamers of m-methylanisole studied by mass-analyzed threshold ionization spectroscopy”, Chen Qin, Sheng Yuan Tzeng, Bing Zhang, and Wen Bih Tzeng, Acta.  Phys. Chim. Sin. 30, 14161425 (2014).

  20. Studies of structural isomers o-, m-, and p-fluorophenylacetylene by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Vidya Shivatare, Aniket Kundu, G. Patwari, and Wen Bih Tzeng, J. Phys. Chem. A 118, 82778286 (2014). [A.W. Castleman, Jr. festschrift]

  21. Vibronic and cation spectroscopy of selected rotamers of 4-chloro-3-fluorophenol”, Vidya Shivatare and Wen Bih Tzeng, Mol. Phys. 112, 2397-2406 (2014). [invited article]

  22. Spectroscopic investigation of cis-2,4-difluorophenol cation by mass-analyzed threshold ionization spectroscopy”, Vidya Shivatare and Wen Bih Tzeng, Bull. Korean Chem. Soc. 35, 815820 (2014). [Myung Soo Kim festschrift]

  23. 4-Chloro-3-fluoroaniline studied by resonant two-photo ionization and mass-analyzed threshold ionization spectroscopy”, Yi Hsuang Huang, Wei Chih Huang,  and Wen Bih Tzeng, Chem. Phys. Lett.  595-596, 7376 (2014).

  24. Rotamers of m-chloroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Hsin Chang  Huang, Kui Shiu  Shiung, Bih-Yaw Jin, and Wen Bih Tzeng, Chem. Phys. 425, 114120 (2013).

  25. Rotamers of 3,4-difluorophenol studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Ching Yun Tsai  and Wen Bih Tzeng, J. Photochem. and Photobio. A 270, 5358 (2013).

  26. Resonant two-photon mass-analyzed threshold ionization of 2,5-difluoroaniline”, Wei Chih Huang, Po Sheng Huang, Ching Han Hu, and Wen Bih Tzeng, Chem. Phys. Lett. 580, 2831 (2013).

  27. Rotamers of aromatic molecules studied by two-color resonant two photon ionization and mass-analyzed threshold ionization spectroscopy”, Wei Chih Huang and Wen Bih Tzeng, Trends in Appl. Spectrosc. 9, 7584 (2013).

  28. 3-Chloro-4-fluoroaniline studied by resonant two-photo ionization and mass-analyzed threshold ionization spectroscopy”, Ko Wei Lo  and Wen Bih Tzeng, J. Mol. Spectrosc. 288, 16 (2013).

  29. Mass-analyzed threshold ionization spectroscopy of trans-1-methoxynaphthalene cation and the methoxyl substitution effect”, Vidya Shivatare, Qiusha  Zheng, Bing  Zhang, Tapan  Ganguly,  and Wen Bih Tzeng, J. Mol. Spectrosc. 284-285, 1620 (2013).

  30. “Active vibrations of 1-cyanonaphthalene cation studied by mass-analyzed threshold ionization spectroscopy”, Vidya Shivatare, Sheng Yuan Tzeng,  and Wen Bih Tzeng, Chem. Phys. Lett. 558, 2024 (2013).

  31. Rotamers of 3,4-difluoroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Yanqi Xu, Sheng Yuan Tzeng, Bing Zhang, and Wen Bih Tzeng, Spectrochim. Acta A 102, 365370 (2013).

  32. “Vibronic and cation spectroscopy of structural isomers p- and m-diaminobenzene and the amino substitution effect”, Vidya Shivatare, Chih Hsu Wu, and Wen Bih Tzeng, J. Photochem. and Photobio.A 251, 9499 (2012).

  33. “Resonant two-photon mass-analyzed threshold ionization spectroscopy of 1-fluoronaphthalene and 2-fluoronaphthalene”, Sheng Yuan Tzeng,  Jui Yang Wu, Shudong Zhang, and Wen Bih Tzeng, J. Mol. Spectrosc. 281, 4046 (2012).

  34. “Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of p-vinylaniline”, Sheng Yuan Tzeng, Changwu Dong, and Wen Bih Tzeng, Chem. Phys. 407, 7175 (2012).

  35. Mass-analyzed threshold ionization spectroscopy of 2,6-dimethylaniline, 2,6-dimethylaniline-NHD, and 2,6-dimethylaniline-ND2”, Wei Chih Huang, Yuen Chia Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 551, 5053 (2012).

  36. “Two-color resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of o-chloroanisole”, Hsin Chang Huang, Bih Yaw Jin, Wen Bih Tzeng, J. Photochem. and Photobio. 243, 7379 (2012).

  37. “Vibronic and cation spectroscopy of p-ethynylaniline”, Yi-Jin  Su and Wen Bih Tzeng, Chem. Phys. Lett. 543, 1922 (2012).

  38. “Rotamers of m-fluoroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy”, Kui-Shiu Shiung, Dan Yu, Hsin-Chang Huang, and Wen Bih Tzeng, J. Mol. Spectrosc. 274, 43–47 (2012).

  39. “Vibronic and cation spectroscopy of 2,4-difluoroaniline”, Wei Chih Huang, Po Sheng Huang, Ching Han Hu, and Wen Bih Tzeng, Spectrochim. Acta A 93, 176179 (2012).

  40. “Cation spectroscopy of o-fluoroanisole and p-fluoroanisole by two-color resonant two-photon mass-analyzed threshold ionization”, Kui Shiu Shiung, Dan Yu, Sheng Yuan Tzeng, and Wen Bih Tzeng, Chem. Phys. Lett. 524, 3841 (2012).

  41. “Vibronic and cation spectroscopy of m-chloroaniline”, Wei Chih Huang, Wen Lan Yeh, and Wen Bih Tzeng, J. Mol. Spectrosc. 269, 248253 (2011).

  42. “Mass-analyzed threshold ionization spectroscopy of deuterium-substituted isotopomers of o-fluoroaniline and m-fluoroaniline cations”, Shih Chang Yang and Wen Bih Tzeng, J. Mol. Spectrosc. 269, 4955 (2011).

  43. Active vibrations of indene cation studied by mass-analyzed threshold ionization spectroscopy”, Chaochao Qin, Sheng Yuan Tzeng, Bing Zhang, Wen Bih Tzeng, J. Photochem. Photobio. A 220, 139144 (2011).

  44. Cation spectroscopy of 3,4-difluoroaniline by two-color resonant two-photon mass-analyzed threshold ionization”, Wei Chih Huang, Wen Bih Tzeng, J. Mol. Spectrosc. 266, 5256 (2011).

  45. “Selected cis- and trans-p-methoxystyrene rotamers studied by mass-analyzed threshold ionization spectroscopy”, Chaochao Qin, Sheng Yuan Tzeng, Bing Zhang, Wen Bih Tzeng, Chem. Phys. Lett. 503, 2528 (2011).

  46. “Mass-analyzed threshold ionization of deuterium substituted  indazole and benzimidazole and site-specific H/D exchange reaction”, Shih Chang Yang and Wen Bih Tzeng, Chem. Phys. Lett. 501, 610 (2010).

  47. “Rotamers of o- and m-dimethoxybenzenes studied by mass-analyzed threshold ionization spectroscopy and theoretical calculations”, Shih Chang Yang, Ssu Wei Huang, and Wen Bih Tzeng, J. Phys. Chem. A. 114, 1114411152 (2010).

  48. “Ultraviolet laser ionization studies of 1-fluoronaphthalene clusters and density functional theory calculations”, Shu-Dong Zhang, Hai-Fang Zhang, and Wen Bih Tzeng, Chin. Phys. B 19, 123602 (5 pages) (2010).

  49. “Mass analyzed threshold ionization spectroscopy of rotamers of p-ethoxyphenol”, Qiu-Sha Zheng, Teng I Fang, Bing Zhang, and Wen Bih Tzeng,  Chin. J. Chem. Phys. 22, 649654 (2009).

  50. “UV Resonant Two-Photon Ionization Spectrum of 1-Naphthol”,  Shu-Dong Zhang, Hai-Fang Zhang, and Wen Bih Tzeng, Acta Phys. Chim. Sin., 25, 24882492 (2009).

  51. “Vibrational spectra and theoretical calculations of p-chlorophenol in the electronically excited S1 and ionic ground D0 states”, Jianhan Huang, Kelong Huang, Suqin Liu, Qiong Luo, and Wen Bih Tzeng, J. Photochem. and Photobio. A 193, 245253 (2008).

  52. “Molecular structures and vibrations of cis and trans m-cresol in the electronically excited S1 and cationic D0 states”, Jianhan Huang, Kelong Huang, Suqin Liu, Qiong Luo, Wen Bih Tzeng, J. Photochem. Photobio. A 188, 252259 (2007).

  53. “Resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of the selected rotamers of m-methoxyaniline and o-methoxyaniline”, Jung Lee Lin, Chen Jso Huang, Cheng Huang Lin, Wen Bih Tzeng, J. Mol. Spectrosc. 244, 18 (2007).

  54. “Rotamers of m-cresol cations studied by mass analyzed threshold ionization spectroscopy”, Jiangou Huang, Jung Lee Lin, and Wen Bih Tzeng, Spectrochim. Acta A 67, 989994 (2007).

  55. “Mass analyzed threshold ionization spectroscopy of aza-aromatic bicyclic molecules: Benzimidazole and benzotriazole”, Jung Lee Lin, Yi Chang Li, and Wen Bih Tzeng, Chem. Phys. 334, 189195 (2007).

  56. “Mass analyzed threshold ionization spectroscopy of the 35Cl and 37Cl isotopomers of p-chlorophenol and isotope effect”, Jiangou Huang, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 422, 271275 (2006).

  57. “Mass analyzed threshold ionization spectroscopy of o-fluorophenol and o-methoxyphenol cations and influence of the nature and relative location of substituents”, Liwei Yuan, Changyong Li, Jung Lee Lin, Shih Chang Yang, and Wen Bih Tzeng, Chem. Phys. 323, 429438 (2006).

  58. “Mass analyzed threshold ionization spectroscopy of methyl-p-aminobenzoate cation”, Changyong Li, Shih Chang Yang, and Wen Bih Tzeng, Chem. Phys. Lett. 421, 7780 (2006).

  59. Site-specific H/D exchange of p-methoxyphenol studied by resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy, Liwei Yuan, Changyong Li, and Wen Bih Tzeng,  J. Phys. Chem. A. 109, 94819487 (2005).

  60. “Mass analyzed threshold ionization spectroscopy of p-methylanisole cation and the substitution effect”, Jiangou Huang, Changyong Li, and Wen Bih Tzeng, Chem. Phys. Lett. 414, 276281 (2005).

  61. “Mass analyzed threshold ionization spectroscopy of p-cyanophenol cation and the CN substitution effect”, Changyong Li, Manik Pradhan, and Wen Bih Tzeng,  Chem. Phys. Lett. 411, 506510 (2005).

  62. Mass analyzed threshold ionization spectroscopy of indazole cation”, Huawei Su, Manik Pradhan, and Wen Bih Tzeng, Chem. Phys. Lett. 411, 8690 (2005).

  63. Rotamers of p-methoxyphenol cation studied by mass-analyzed threshold ionization spectroscopy”, Changyong Li, Huawei Su, and Wen Bih Tzeng, Chem. Phys. Lett. 410, 99103 (2005).

  64. Mass analyzed threshold ionization spectroscopy of anisole cation and the OCH3 substitution effect”, Manik Pradhan, Changyong Li, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. Lett.  407, 100104 (2005).

  65. Mass-analyzed threshold ionization spectroscopy of the rotamers of p-n-propylphenol cation and configuration effect”, Changyong Li, Jung Lee Lin, and Wen Bih Tzeng, J. Chem. Phys. 122, 044311 (2005).

  66. Two-color resonant two-photon mass analyzed threshold ionization spectroscopy of aromatic molecules", Jieli Lin and Wen Bih Tzeng, Trends in Appl. Spectrosc. 5, 7182 (2004). 

  67. “Mass analyzed threshold ionization spectroscopy of p-aminophenol cation and the substitution effect”, Yan Xie, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. 305, 285290 (2004).

  68. Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations”, Yan Xie, Huawei Su, and Wen Bih Tzeng, Chem. Phys. Lett. 394, 182187 (2004).

  69. Mass analyzed threshold ionization spectroscopy of p-methylphenol and p-ethylphenol cations and the alkyl substitution effect”, Jung Lee Lin, Changyong Li, and Wen Bih Tzeng, J. Chem. Phys. 120, 1051310519 (2004).

  70. “Mass analyzed threshold ionization spectroscopy of p-fluorophenol and the p-fluoro substitution effect”, Bing Zhang, Changyong Li, Huawei Su, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 390, 65-70 (2004).

  71. Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect”, Jung Lee Lin, Song Zhang, and Wen Bih Tzeng, J. Chem. Phys. 120, 5057–5063 (2004).

  72. Mass analyzed threshold ionization spectroscopy of N-methylaniline and N-ethylaniline cations: Isotope effect on transition energy and large amplitude vibrations”, Jieli Lin, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. 295, 97107 (2003).

  73. Mass analyzed threshold ionization spectroscopy of 7-azaindole cation”, Jung Lee Lin and Wen Bih Tzeng, Chem. Phys. Lett. 380, 503511 (2003). 

  74. Identification of impurities in phenylacetylene by species-selected mass-analyzed threshold ionization spectroscopy, Jung Lee Lin  and Wen Bih Tzeng, Appl. Spectrosc. 57, 11781182 (2003).

  75. Mass analyzed threshold ionization spectroscopy of 1-methylindoline cation, Jung Lee Lin  and Wen Bih Tzeng, Chem. Phys. Lett. 377, 620626 (2003).

  76. Mass analyzed threshold ionization spectroscopy of indoline cation: Cyclization effect and large amplitude vibrations, Jung Lee Lin, Jieli Lin, Rong Hu Wu, and Wen Bih Tzeng, J. Chem. Phys. 118, 1003410041 (2003).

  77. Mass analyzed threshold ionization spectroscopy of N-deuterium substituted indoline cation: Isotope effect on the electronic transition, ionization and molecular vibration, Jieli Lin, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 371, 662669 (2003).

  78. Mass analyzed threshold ionization spectroscopy of N-methylaniline,  N-ethylaniline, and N,N-dimethylaniline cations: Influence of N-alkyl substitution on the ionization energy and molecular vibration, Rong Hu Wu, Jung Lee Lin, Jieli Lin, Shih Chang Yang, and Wen Bih Tzeng, J. Chem. Phys. 118, 49294937 (2003).

  79. Mass analyzed threshold ionization spectroscopy of p-methoxyaniline cation and influence of the OCH3 substituent, Jieli Lin, Jung Lee Lin, and Wen Bih Tzeng, Chem. Phys. Lett. 370, 4451 (2003).

  80. Mass analyzed threshold ionization spectroscopy of p-ethylaniline cation: Alkyl chain effects on ionization and molecular vibration, S. C. Yang, J. L. Lin, and W. B. Tzeng, Chem. Phys. Lett. 362, 1925 (2002). 

  81. Mass analyzed threshold ionization spectroscopy of o-, m-, p-methylaniline cations: Vicinal substitution effects on electronic transition, ionization, and molecular vibration, J. L. Lin, K. C. Lin, and W. B. Tzeng, J. Phys. Chem. A 106, 64626468 (2002).

  82. Mass analyzed threshold ionization spectroscopy of 3-aminopyridine cation and vicinal substitution effect, J. L. Lin, R. H. Wu, and W. B. Tzeng, Chem. Phys. 280, 191203 (2002). 

  83. Mass analyzed threshold ionization of p-bromoaniline: Heavy atom effects on electronic transition, ionization, and molecular vibration, J. L. Lin, S. C. Yang, Y. C. Yu, and W. B. Tzeng, Chem. Phys. Lett., 356, 267276 (2002). 

  84. Mass analyzed threshold ionization spectroscopy of 2-aminopyridine cation, J. L. Lin, R. H. Wu, and W. B. Tzeng, Chem. Phys. Lett. 353, 5562 (2002).

  85. Mass-analyzed threshold ionization spectroscopy of the selected rotamers of hydroquinone and p-dimethoxybenzene cations, J. L. Lin, L. C.  L. Huang, and W. B. Tzeng, J. Phys. Chem. A 105, 1145511461 (2001).

  86. Mass analyzed threshold ionization of deuterium substituted isotopomers of aniline and p-fluoroaniline: Isotope effect and site-specific electronic transition, Jung Lee Lin and Wen Bih Tzeng, J. Chem. Phys. 115, 743751 (2001). 

  87. Species-selected mass analyzed threshold ionization spectra of m-fluoroaniline cation, J. L. Lin, K. C. Lin, and W. B. Tzeng, Appl. Spectrosc. 55, 120124 (2001). 

  88. Mass analyzed threshold ionization spectroscopy of 4-aminobenzonitrile cation, L. C. L. Huang, J. L. Lin and W. B. Tzeng, Chem. Phys. 261, 449455 (2000).

  89. Ionization energy of o-fluoroaniline and vibrational levels of o-fluoroaniline cation determined by mass-analyzed threshold ionization spectroscopy, Jung Lee Lin and Wen Bih Tzeng, Phys. Chem. Chem. Phys. 2, 37593763 (2000). 

  90. Mass analyzed threshold ionization of the 35Cl and 37Cl isotopomers of p-chloroaniline, J. L. Lin and W. B. Tzeng, J. Chem. Phys. 113, 41094115 (2000). 

  91. Ionization energy of p-fluoroaniline and vibrational levels of p-fluoroaniline cation determined by mass-analyzed threshold ionization spectroscopy, W. B. Tzeng and J. L. Lin, J. Phys. Chem. A 103, 86128619 (1999).

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