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公開日期標題作者
26-九月-2007Computational study of molecular properties of aggregates of C-60 and (16,0) zigzag nanotubeWitek, Henryk A.; Trzaskowski, Bartosz; Malolepza, Edyta; Morokuma, Keiji; Adamowicz, Ludwik; 應用化學系分子科學碩博班; Institute of Molecular science
1-十二月-2017Connectivity Graphs for Single Zigzag Chains and their Application for Computing ZZ PolynomialsLangner, Johanna; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-八月-2010Convergence in the Evolution of Nanodiamond Raman Spectra with Particle Size: A Theoretical InvestigationLi, Wunfan; Irle, Stephan; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
21-六月-2019Correcting long-range electrostatics in DFTBPodeszwa, Rafal; Jankiewicz, Wojciech; Krzus, Magdalena; Witek, Henryk A.; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
7-九月-2014Critical interpretation of CH- and OH- stretching regions for infrared spectra of methanol clusters (CH3OH)(n) (n=2-5) using self-consistent-charge density functional tight-binding molecular dynamics simulationsNishimura, Yoshifumi; Lee, Yuan-Pern; Irle, Stephan; Witek, Henryk A.; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
30-七月-2020Detection of a Criegee Intermediate with an Unsaturated Hydrocarbon Substituent: Fourier-Transform Microwave Spectroscopy of Methyl Vinyl Ketone OxideEndo, Yasuki; Witek, Henryk A.; Chung, Chen-An; Lee, Yuan-Pern; 交大名義發表; 應用化學系; 應用化學系分子科學碩博班; National Chiao Tung University; Department of Applied Chemistry; Institute of Molecular science
2014Determination of Zhang-Zhang Polynomials for Various Classes of Benzenoid Systems: Non-Heuristic ApproachChou, Chien-Pin; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-九月-2013DFTB Parameters for the Periodic Table: Part 1, Electronic StructureWahiduzzaman, Mohammad; Oliveira, Augusto F.; Philipsen, Pier; Zhechkov, Lyuben; van Lenthe, Erik; Witek, Henryk A.; Heine, Thomas; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-十月-2018Dispersion-Corrected DFT Struggles with Predicting Three-Body Interaction EnergiesJankiewicz, Wojciech; Podeszwa, Rafal; Witek, Henryk A.; 應用化學系; Department of Applied Chemistry
四月-2016Diversity in electronic structure and vibrational properties of fullerene isomers correlates with cage curvatureWitek, Henryk A.; Irle, Stephan; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-六月-2011Dramatic Reduction of IR Vibrational Cross Sections of Molecules Encapsulated in Carbon NanotubesKazachkin, Dmitry V.; Nishimura, Yoshifumi; Witek, Henryk A.; Irle, Stephan; Borguet, Eric; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
14-九月-2007Dynamics of the F-2+CH3SCH3 reaction: A molecule-molecule reaction without entrance barrierLu, Yu-Ju; Lee, Lance; Pan, Jun-Wei; Witek, Henryk A.; Lin, Jim J.; 應用化學系; Department of Applied Chemistry
1-五月-2011The elusive excited states of bithiophene: a CASPT2 detective storyAndrzejak, Marcin; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
10-七月-2018Equivalence between Clar covering polynomials of single zigzag chains and tiling polynomials of 2 x n rectanglesLangner, Johanna; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-二月-2012Evolution of physical properties of conjugated systemsLi, Wun-Fan; Andrzejak, Marcin; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
1-一月-2017Excited statesmanifold of 2,2 '-bithiophene: basis set dependence studyAndrzejak, Marcin; Kukulka, Mercedes; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
10-八月-2009FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C(5)H FROM PHOTOLYSIS OF METHANE DISPERSED IN SOLID NEONWu, 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; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
10-八月-2009FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C5H FROM PHOTOLYSIS OF METHANE DISPERSED IN SOLID NEONWu, 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; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
14-四月-2011Infrared 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 ionizationHan, Hui-Ling; Camacho, Cristopher; Witek, Henryk A.; Lee, Yuan-Pern; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
14-四月-2011Infrared absorption of methanol clusters (CH3OH)(n) with n=2-6 recorded with a time-of-flight mass spectrometer using infrared depletion and vacuum-ultraviolet ionizationHan, Hui-Ling; Camacho, Cristopher; Witek, Henryk A.; Lee, Yuan-Pern; 應用化學系; 應用化學系分子科學碩博班; Department of Applied Chemistry; Institute of Molecular science
顯示 23 到 42 筆資料，總共 80 筆 < 上一頁   下一頁 >