| 國立交通大學 |
2017-04-21T06:55:48Z |
Automatized Parameterization of DFTB Using Particle Swarm Optimization
|
Chou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:48Z |
Analytical Solutions of the Schrodinger Equation with Power Potentials
|
Karwowski, Jacek; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:48Z |
Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals
|
Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji |
| 國立交通大學 |
2017-04-21T06:55:48Z |
Toward Exact Analytical Wave Function of Helium Atom: Two Techniques for Constructing Homogeneous Functions of Kinetic Energy Operator
|
He Bing-Hau; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:44Z |
Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OO
|
Huang, Yu-Hsuan; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern |
| 國立交通大學 |
2017-04-21T06:55:37Z |
Schrodinger equations with power potentials
|
Karwowski, Jacek; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:20Z |
Nucleotide-Dependent Bioautocatalytic Timer Reaction
|
Chen, Ting-Ru; Hsu, Ching-Fong; Chen, Chih-Lin; Witek, Henryk A.; Urban, Pawel L. |
| 國立交通大學 |
2016-03-28T00:04:27Z |
Analytical Solutions of the Schrodinger Equation with Power Potentials
|
Karwowski, Jacek; Witek, Henryk A. |
| 國立交通大學 |
2016-03-28T00:04:27Z |
Automatized Parameterization of DFTB Using Particle Swarm Optimization
|
Chou, Chien-Pin; Nishimura, Yoshifumi; Fan, Chin-Chai; Mazur, Grzegorz; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2016-03-28T00:04:26Z |
Toward Exact Analytical Wave Function of Helium Atom: Two Techniques for Constructing Homogeneous Functions of Kinetic Energy Operator
|
He Bing-Hau; Witek, Henryk A. |
| 國立交通大學 |
2016-03-28T00:04:26Z |
Automatized Parameterization of the Density-functional Tight-binding Method. II. Two-center Integrals
|
Witek, Henryk A.; Chou, Chien-Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Balint; Frauenheim, Thomas; Morokuma, Keiji |
| 國立交通大學 |
2016-03-28T00:04:17Z |
Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: Prolate rectangles and their generalizations
|
Chou, Chien-Pin; Kang, Jin-Su; Witek, Henryk A. |
| 國立交通大學 |
2015-11-26T00:55:47Z |
應用於數學化學及量子化學之演算法及程式開發
|
周建斌; Chou, Chien-Pin; 魏恆理; Witek, Henryk A. |
| 國立交通大學 |
2015-07-21T08:28:24Z |
Two Examples for the Application of the ZZDecomposer: Zigzag-Edge Coronoids and Fenestrenes
|
Chou, Chien-Pin; Witek, Henryk A. |
| 國立交通大學 |
2015-07-21T08:28:24Z |
Zhang-Zhang Polynomials of Regular 3-and 4-tier Benzenoid Strips
|
Witek, Henryk A.; Mos, Grzegorz; Chou, Chien Pin |
| 國立交通大學 |
2014-12-08T15:48:38Z |
Convergence in the Evolution of Nanodiamond Raman Spectra with Particle Size: A Theoretical Investigation
|
Li, Wunfan; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:48:05Z |
Theoretical Interpretation of the UV-vis Spectrum of the CS(2)/Cl Complex in the Spectral Region 320-550 nm
|
Camacho, Cristopher; Cheng, Chi-Wen; Witek, Henryk A.; Lee, Yuan-Pern |
| 國立交通大學 |
2014-12-08T15:37:51Z |
Reply to the 'Comment on "Multiconfigurational perturbation theory can predict a false ground state"' by J. Soto, F. Avila, J. C. Otero and J. F. Arenas, Phys. Chem. Chem. Phys., 2011
|
Camacho, Cristopher; Cimiraglia, Renzo; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:36:56Z |
Mechanism of Back Electron Transfer in an Intermolecular Photoinduced Electron Transfer Reaction: Solvent as a Charge Mediator
|
Narra, Sudhakar; Nishimura, Yoshifumi; Witek, Henryk A.; Shigeto, Shinsuke |
| 國立交通大學 |
2014-12-08T15:36:48Z |
Critical 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 simulations
|
Nishimura, Yoshifumi; Lee, Yuan-Pern; Irle, Stephan; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:36:44Z |
Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies
|
Smith, Daniel G. A.; Jankowski, Piotr; Slawik, Michal; Witek, Henryk A.; Patkowski, Konrad |
| 國立交通大學 |
2014-12-08T15:36:37Z |
Determination of Zhang-Zhang Polynomials for Various Classes of Benzenoid Systems: Non-Heuristic Approach
|
Chou, Chien-Pin; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:36:37Z |
Closed-Form Formulas for the Zhang-Zhang Polynomials of Benzenoid Structures: Chevrons and Generalized Chevrons
|
Chou, Chien-Pin; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:36:05Z |
Biconfluent Heun equation in quantum chemistry: Harmonium and related systems
|
Karwowski, Jacek; Witek, Henryk A. |
| 國立交通大學 |
2014-12-08T15:35:59Z |
ZZDecomposer: A Graphical Toolkit for Analyzing the Zhang-Zhang Polynomials of Benzenoid Structures
|
Chou, Chien-Pin; Witek, Henryk A. |
