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Browsing by Author Witek, Henryk A.

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Issue DateTitleAuthor(s)
2012An Algorithm and FORTRAN Program for Automatic Computation of the Zhang-Zhang Polynomial of BenzenoidsChou, 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-May-2018Algorithm for generating generalized resonance structures of single zigzag chains based on interface theoryLangner, 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
Jan-2016Analytical Solutions of the Schrodinger Equation with Power PotentialsKarwowski, Jacek; 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-Jan-2016Analytical Solutions of the Schrodinger Equation with Power PotentialsKarwowski, Jacek; 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
Jan-2016Automatized Parameterization of DFTB Using Particle Swarm OptimizationChou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; 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
1-Jan-2016Automatized Parameterization of DFTB Using Particle Swarm OptimizationChou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; 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
Jan-2016Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center IntegralsWitek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 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-Jan-2016Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center IntegralsWitek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji; 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-Mar-2008Barrierless reactions between two closed-shell molecules. I. Dynamics of F(2)+CH(3)SCH(3) reactionLu, Yu-Ju; Lee, Lance; Pan, Jun-Wei; Xie, Tingxian; Witek, Henryk A.; Lin, Jim J.; 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-Aug-2014Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction EnergiesSmith, Daniel G. A.; Jankowski, Piotr; Slawik, Michal; Witek, Henryk A.; Patkowski, Konrad; 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-Aug-2014Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction EnergiesSmith, Daniel G. A.; Jankowski, Piotr; Slawik, Michal; Witek, Henryk A.; Patkowski, Konrad; 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
11-May-2014Biconfluent Heun equation in quantum chemistry: Harmonium and related systemsKarwowski, Jacek; 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
7-Aug-2018Chemical clocks, oscillations, and other temporal effects in analytical chemistry: oddity or viable approach?Prabhu, Gurpur Rakesh D.; Witek, Henryk A.; Urban, Pawel L.; 交大名義發表; 應用化學系; National Chiao Tung University; Department of Applied Chemistry
1-Nov-2012Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation TheoryChang, Shu-Wei; 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
2008Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn(2) revisitedCamacho, Cristopher; Yamamoto, Shigeyoshi; Witek, Henryk A.; 應用化學系分子科學碩博班; Institute of Molecular science
2014Closed-Form Formulas for the Zhang-Zhang Polynomials of Benzenoid Structures: Chevrons and Generalized ChevronsChou, 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
10-Jan-2016Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: Prolate rectangles and their generalizationsChou, Chien-Pin; Kang, Jin-Su; Witek, Henryk A.; 應用化學系; 應用化學系分子科學碩博班; 經營管理研究所; Department of Applied Chemistry; Institute of Molecular science; Institute of Business and Management
1-May-2012Comment on "Zhang-Zhang polynomials of cyclo-polyphenacenes" by Q. Guo, H. Deng, and D. ChenChou, 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
19-Aug-2007COMP 105-Prediction of Raman spectra in novel polyyne@SWNT peapods using dispersion-augmented density-functional-tight-bindingIrle, Stephan; Witek, Henryk A.; Shinohara, Hisanori; Morokuma, Keiji; 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
5-Aug-2009Comparison 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; 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
Showing results 1 to 20 of 80  next >