| ชื่อเรื่อง | : | Time-dependent wave packet dynamics of H2 + D2 reaction. |
| นักวิจัย | : | Song, Hongwei. |
| คำค้น | : | DRNTU::Science::Chemistry::Physical chemistry::Reactions and kinetics. |
| หน่วยงาน | : | Nanyang Technological University, Singapore |
| ผู้ร่วมงาน | : | - |
| ปีพิมพ์ | : | 2555 |
| อ้างอิง | : | Song, H. (2012). Time-dependent wave packet dynamics of H2 + D2 reaction. Doctoral thesis, Nanyang Technological University, Singapore. , http://hdl.handle.net/10356/50664 |
| ที่มา | : | - |
| ความเชี่ยวชาญ | : | - |
| ความสัมพันธ์ | : | - |
| ขอบเขตของเนื้อหา | : | - |
| บทคัดย่อ/คำอธิบาย | : | Various processes can take place simultaneously in H2 + D2 collisions: four-center reaction yielding HD + HD, collision induced dissociation resulting in D2 + H + H or H2 + D + D, and single exchange reaction producing HD + H + D. The initial state selected time-dependent wave packet method was employed to study the H2 (v1 = high) + D2 (v2 = low) reaction on two realistic global potential energy surfaces (ASP and BMKP) within the reduced-dimensional (3D) and full-dimensional (6D) models. The role of both vibrationally excited and rotationally excited reagents was examined by varying the reagent initial vibrational and rotational states. The isotope substitution effects were investigated by substituting the collider D2 by H2 and HD. In addition, the 6D integral cross sections for the H2 + D2 reaction were calculated with and without the centrifugal sudden (CS) approximation by including all important K blocks and the accuracy of the CS approximation was discussed. |
| บรรณานุกรม | : |
Song, Hongwei. . (2555). Time-dependent wave packet dynamics of H2 + D2 reaction..
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Song, Hongwei. . 2555. "Time-dependent wave packet dynamics of H2 + D2 reaction.".
กรุงเทพมหานคร : Nanyang Technological University, Singapore. Song, Hongwei. . "Time-dependent wave packet dynamics of H2 + D2 reaction.."
กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2555. Print. Song, Hongwei. . Time-dependent wave packet dynamics of H2 + D2 reaction.. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2555.
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