| 國立交通大學 |
2019-08-02T02:15:30Z |
Correcting long-range electrostatics in DFTB
|
Podeszwa, Rafal; Jankiewicz, Wojciech; Krzus, Magdalena; Witek, Henryk A. |
| 國立交通大學 |
2019-08-02T02:15:24Z |
Vibration-rotation interactions in H-2, HD and D-2 : centrifugal distortion factors and the derivatives of polarisability invariants
|
Raj, Ankit; Witek, Henryk A.; Hamaguchi, Hiro-o |
| 國立交通大學 |
2019-04-03T06:42:15Z |
FORMATION AND IDENTIFICATION OF INTERSTELLAR MOLECULE LINEAR C5H 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 |
2019-04-03T06:38:21Z |
Infrared identification of the Criegee intermediates syn- and anti-CH3CHOO, and their distinct conformation-dependent reactivity
|
Lin, Hui-Yu; Huang, Yu-Hsuan; Wang, Xiaohong; Bowman, Joel M.; Nishimura, Yoshifumi; Witek, Henryk A.; Lee, Yuan-Pern |
| 國立交通大學 |
2019-04-03T06:35:47Z |
Relative Isomer Abundance of Fullerenes and Carbon Nanotubes Correlates with Kinetic Stability
|
Fedorov, A. S.; Fedorov, D. A.; Kuzubov, A. A.; Avramov, P. V.; Nishimura, Y.; Irle, S.; Witek, Henryk A. |
| 國立交通大學 |
2019-04-02T06:01:00Z |
Programmable flow rate scanner for evaluating detector sensitivity regime
|
Prabhu, Gurpur Rakesh D.; Witek, Henryk A.; Urban, Pawel L. |
| 國立交通大學 |
2019-04-02T06:00:27Z |
Dispersion-Corrected DFT Struggles with Predicting Three-Body Interaction Energies
|
Jankiewicz, Wojciech; Podeszwa, Rafal; Witek, Henryk A. |
| 國立交通大學 |
2019-04-02T06:00:18Z |
Theoretical Interpretation of the UV-vis Spectrum of the CS2/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 |
2019-04-02T06:00:14Z |
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 |
2019-04-02T06:00:06Z |
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 |
2019-04-02T05:59:49Z |
Infrared absorption of methanol clusters (CH3OH)(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 |
2019-04-02T05:59:37Z |
Zhang-Zhang Polynomials of Multiple Zigzag Chains
|
Langner, Johanna; Witek, Henryk A.; Mos, Grzegorz |
| 國立交通大學 |
2019-04-02T05:59:37Z |
Chemical clocks, oscillations, and other temporal effects in analytical chemistry: oddity or viable approach?
|
Prabhu, Gurpur Rakesh D.; Witek, Henryk A.; Urban, Pawel L. |
| 國立交通大學 |
2018-08-21T05:53:46Z |
Equivalence between Clar covering polynomials of single zigzag chains and tiling polynomials of 2 x n rectangles
|
Langner, Johanna; Witek, Henryk A. |
| 國立交通大學 |
2018-08-21T05:53:30Z |
Algorithm for generating generalized resonance structures of single zigzag chains based on interface theory
|
Langner, Johanna; Witek, Henryk A. |
| 國立交通大學 |
2018-08-21T05:53:26Z |
Polarizability tensor invariants of H-2, HD, and D-2
|
Raj, Ankit; Hamaguchi, Hiro-o; Witek, Henryk A. |
| 國立交通大學 |
2018-08-21T05:53:17Z |
Connectivity Graphs for Single Zigzag Chains and their Application for Computing ZZ Polynomials
|
Langner, Johanna; Witek, Henryk A. |
| 國立交通大學 |
2018-08-21T05:52:56Z |
Zhang-Zhang Polynomials of Regular 5-tier Benzenoid Strips
|
Witek, Henryk A.; Langner, Johanna; Mos, Grzegorz; Chou, Chien-Pin |
| 國立交通大學 |
2018-08-21T05:52:54Z |
Excited statesmanifold of 2,2 '-bithiophene: basis set dependence study
|
Andrzejak, Marcin; Kukulka, Mercedes; Witek, Henryk A. |
| 國立交通大學 |
2017-04-21T06:55:50Z |
Diversity in electronic structure and vibrational properties of fullerene isomers correlates with cage curvature
|
Witek, Henryk A.; Irle, Stephan |
| 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 |
