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Showing items 66-80 of 80  (2 Page(s) Totally)
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Institution Date Title Author
國立交通大學 2014-12-08T15:13:21Z Dynamics of the F-2+CH3SCH3 reaction: A molecule-molecule reaction without entrance barrier Lu, Yu-Ju; Lee, Lance; Pan, Jun-Wei; Witek, Henryk A.; Lin, Jim J.
國立交通大學 2014-12-08T15:13:20Z Computational study of molecular properties of aggregates of C-60 and (16,0) zigzag nanotube Witek, Henryk A.; Trzaskowski, Bartosz; Malolepza, Edyta; Morokuma, Keiji; Adamowicz, Ludwik
國立交通大學 2014-12-08T15:12:53Z Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn(2) revisited Camacho, Cristopher; Yamamoto, Shigeyoshi; Witek, Henryk A.
國立交通大學 2014-12-08T15:12:28Z Barrierless reactions between two closed-shell molecules. I. Dynamics of F(2)+CH(3)SCH(3) reaction Lu, Yu-Ju; Lee, Lance; Pan, Jun-Wei; Xie, Tingxian; Witek, Henryk A.; Lin, Jim J.
國立交通大學 2014-12-08T15:12:26Z Theoretical investigation of molecular properties of the first excited state of the phenoxyl radical Cheng, Chi-Wen; Lee, Yuan-Pern; Witek, Henryk A.
國立交通大學 2014-12-08T15:11:44Z Infrared absorption of methanol clusters (CH(3)OH)(n) with n=2-6 recorded with a time-of-flight mass spectrometer using infrared depletion and vacuum-ultraviolet ionization Han, Hui-Ling; Camacho, Cristopher; Witek, Henryk A.; Lee, Yuan-Pern
國立交通大學 2014-12-08T15:11:40Z The elusive excited states of bithiophene: a CASPT2 detective story Andrzejak, Marcin; Witek, Henryk A.
國立交通大學 2014-12-08T15:10:37Z Theoretical Investigation of Molecular Properties of the First Excited State of the Thiophenoxyl Radical Cheng, Chi-Wen; Lee, Yuan-Pern; Witek, Henryk A.
國立交通大學 2014-12-08T15:10:30Z Theoretical study of noble-gas containing metal halides Mou, Chun-Hao; Witek, Henryk A.
國立交通大學 2014-12-08T15:10:04Z Intruder States in Multireference Perturbation Theory: The Ground State of Manganese Dimer Camacho, Cristopher; Witek, Henryk A.; Yamamoto, Shigeyoshi
國立交通大學 2014-12-08T15:08:59Z Comparison of Geometric, Electronic, and Vibrational Properties for All Pentagon/Hexagon-Bearing Isomers of Fullerenes C(38), C(40), and C(42) Malolepsza, Edyta; Lee, Yuan-Pern; Witek, Henryk A.; Irle, Stephan; Lin, Chun-Fu; Hsieh, Horng-Ming
國立交通大學 2014-12-08T15:08:58Z FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C(5)H FROM PHOTOLYSIS OF METHANE DISPERSED IN SOLID NEON Wu, Yu-Jong; Chen, Hui-Fen; Camacho, Cristopher; Witek, Henryk A.; Hsu, Sheng-Chuan; Lin, Meng-Yeh; Chou, Sheng-Lung; Ogilvie, J. F.; Cheng, Bing-Ming
國立交通大學 2014-12-08T15:07:54Z Multireference perturbation theory can predict a false ground state Camacho, Cristopher; Cimiraglia, Renzo; Witek, Henryk A.
國立交通大學 2014-12-08T15:06:42Z The low-lying states of the scandium dimer Camacho, Cristopher; Witek, Henryk A.; Cimiraglia, Renzo
國立交通大學 2014-12-08T15:05:51Z Relativistic parametrization of the self-consistent-charge density-functional tight-binding method. 1. Atomic wave functions and energies Witek, Henryk A.; Koehler, Christof; Frauenheim, Thomas; Morokuma, Keiji; Elstner, Marcus

Showing items 66-80 of 80  (2 Page(s) Totally)
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