Publications

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2015

 

1. Extremely short-lived reaction resonances in Cl + HD (v = 1)→DCl + H due to chemical bond softening
杨天罡,陈俊,黄龙,汪涛,肖春雷,孙志刚,戴东旭,杨学明,张东辉
SCIENCE

2. Localized Excitation of Ti3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO2
王志强,闻波,郝群庆,刘利民,周传耀,毛新春,郎秀峰,殷文金,戴东旭,Annabella Selloni,杨学明
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

3. State-to-state dynamics of high-n Rydberg H-atom scattering with H2: inelastic scattering and reactive scattering
俞盛锐,苏抒,戴东旭,袁开军,杨学明
PHYSICAL CHEMISTRY CHEMICAL PHYSICS

4. Direct Imaging Single Methanol Molecule Photocatalysis on Titania
卫东,金闲驰,黄传奇,戴东旭,马志博,李微雪,杨学明
Journal of Physical Chemistry C

5. Effect of Surface Structure on the Photoreactivity of TiO2
毛新春,王志强,郎秀峰,郝群庆,闻波,戴东旭,周传耀,刘利民,杨学明
Journal of Physical Chemistry C

6. Recombination of Formaldehyde and Hydrogen Atoms on TiO2(110)
毛新春,卫东,王志强,金闲驰,郝群庆,任泽峰,戴东旭,马志博,周传耀,杨学明
Journal of Physical Chemistry C

7. Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v′, j′) + H Reaction
杨天罡,黄龙,汪涛,肖春雷,谢雨润,孙志刚,戴东旭,陈茂笃,张东辉,杨学明
JOURNAL OF PHYSICAL CHEMISTRY A

8. Photodissociation Dynamics of Diacetylene Rydberg States
王洪真,俞盛锐,苏抒,戴东旭,袁开军,杨学明
JOURNAL OF PHYSICAL CHEMISTRY A

9. Photodissociation dynamics of HOD via the ?B (1A1) electronic state
苏抒,王洪真,陈志超,俞盛锐,戴东旭,袁开军,杨学明
JOURNAL OF CHEMICAL PHYSICS

10. Effect of CH stretching excitation on the reaction dynamics of F + CHD3 → DF + CHD2
杨家岳,张冬,陈震, Florian Blauert,姜波,戴东旭,吴国荣,张东辉,杨学明
JOURNAL OF CHEMICAL PHYSICS

11. Direct Observation of Ethanol Photocatalysis on Rutile TiO2(110) Surface
卫东,金闲驰,戴东旭,马志博,杨学明
CHINESE JOURNAL OF CHEMICAL PHYSICS

12. Elementary processes in photo catalysis of methanol and water on rutile TiO2(110): A new picture of photocatalysis
郭庆, Timothy K. Minton, 杨学明
Chinese Journal of Catalysis

13. Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H+
杨天罡,黄龙,谢雨润,汪涛,肖春雷,孙志刚,戴东旭,陈茂笃,张东辉,杨学明
CHINESE JOURNAL OF CHEMICAL PHYSICS

14. Excitation Wavelength Dependence of Photocatalyzed Oxidation of Methanol on TiO2(110)
王志强,郝群庆,周传耀,戴东旭,杨学明
CHINESE JOURNAL OF CHEMICAL PHYSICS

15. On-line spectral diagnostic system for Dalian Coherent Light Source
Chaoyang Li, Shen Wei, Xuewei Du, Liangliang Du, 王秋平,张未卿,吴国荣,戴东旭,杨学明
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT

16. An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-luster method
陈俊,孙志刚,张东辉
JOURNAL OF CHEMICAL PHYSICS

17. Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F+H2/HD Reaction
孙志刚,张东辉
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

18. Communication: Rate coefficients of the H + CH4 → H2 + CH3 reaction from ring polymer molecular dynamics on a highly accurate potential energy surface
孟庆勇,陈俊,张东辉
JOURNAL OF CHEMICAL PHYSICS

19. Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method
沈祥建,陈俊,张兆军,邵科杰,张东辉
JOURNAL OF CHEMICAL PHYSICS

20. CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion
沈祥建,张兆军,张东辉
PHYSICAL CHEMISTRY CHEMICAL PHYSICS

21. A global full-dimensional potential energy surface and quasiclassical trajectory study of the O(1D) + CH4 multichannel reaction
邵科杰,傅碧娜,张东辉
PHYSICAL CHEMISTRY CHEMICAL PHYSICS

22. Quasiclassical Trajectory Study of the Reaction of CD4 with O(1D)
邵科杰,傅碧娜,张东辉
CHINESE JOURNAL OF CHEMICAL PHYSICS

23. A full-dimensional quantum dynamics study of the mode specificity in the H + HOD abstraction reaction
傅碧娜,张东辉
JOURNAL OF CHEMICAL PHYSICS

24. Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction
张兆军,陈俊,杨明晖,张东辉
JOURNAL OF PHYSICAL CHEMISTRY A

25. Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H2+ and H2 in cylindrical coordinates
林祥松,孙志刚
CHEMICAL PHYSICS LETTERS

26. An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method
于德权,丛书林,孙志刚
CHEMICAL PHYSICS

27. Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach
李文涛,陈茂笃,孙志刚
CHINESE JOURNAL OF CHEMICAL PHYSICS

28. Competition Between H2SO4?(CH3)3N and H2SO4?H2O Interactions: Theoretical Studies on the Clusters [(CH3)3N](H2SO4)(H2O)3?7
徐珍珍,樊红军
JOURNAL OF PHYSICAL CHEMISTRY A

29. The adsorption and dissociation of multilayer CH3OH on TiO2 (110)
王锐敏,樊红军
Science China-Chemistry

30. Interaction of Metal Ions with the His13-His14 Sequence Relevant to Alzheimer’s Disease
孔祥涛,赵志,雷鑫,张冰冰,戴东旭,江凌
JOURNAL OF PHYSICAL CHEMISTRY A

31. Early Stage Solvation of Protonated Methanol by Carbon Dioxide
赵志,孔祥涛,雷鑫,张冰冰,赵纪军,江凌
CHINESE JOURNAL OF CHEMICAL PHYSICS

32. H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals
苏乃强,陈俊,孙志刚,张东辉,徐昕
JOURNAL OF CHEMICAL PHYSICS

33. Coverage Dependence of Methanol Dissociation on TiO2(110)
刘烁,刘安安,闻波,张瑞丹,周传耀,刘利民,任泽峰
Journal of Physical Chemistry Letters

34. Highly Effective Configurational Assignment Using Bisthioureas as Chiral Solvating Agents in the Presence of DABCO
Guangling Bian, 樊红军, Huayin Huang, Shiwei Yang, Hua Zong, Ling Song, Genjin Yang
ORGANIC LETTERS

35. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations
孟庆勇,Hans-Dieter Meyer
JOURNAL OF CHEMICAL PHYSICS

36. Visible/Infrared Dissociation of NO3: Roaming in the Dark or Roaming on the Ground?
Ravin Fernando, Arghya Dey, Bernadette M. Broderick, 傅碧娜, Zahra Homayoon, Joel M. Bowman, and Arthur G. Suits
JOURNAL OF PHYSICAL CHEMISTRY A

37. Beam energy distribution influences on density modulation efficiency in seeded free-electron lasers
王光磊,张未卿,吴国荣,戴东旭,杨学明,冯超,张猛,邓海啸,王东,赵振堂
PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS

38. Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering
沈宇能,吴天敏,蒋博,邓罡华,李介博,陈海龙,郭逊敏,葛传琦,陈雅静,洪洁雅,杨学明,袁开军,庄巍,郑俊荣
JOURNAL OF PHYSICAL CHEMISTRY B

39. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
李军,陈俊,赵志强,谢代前,张东辉,郭华
JOURNAL OF CHEMICAL PHYSICS

40. VUV Photodissociation Dynamics of Nitrous Oxide: The O(1S j=0) and O(3P j=2,1,0)) Product Channels
俞盛锐,袁道福,Wentao Chen,杨学明,王兴安
JOURNAL OF PHYSICAL CHEMISTRY A

41. Kinetic isotope effect of the 16O + 36O2 and 18O + 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study
孙志刚,于德权,谢闻博,侯佳怡,Richard Dawes,郭华
JOURNAL OF CHEMICAL PHYSICS

42. State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method
谢闻博,刘兰,孙志刚,郭华,Richard Dawes
JOURNAL OF CHEMICAL PHYSICS

43. Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy
Nadia Balucani, Francesca Leonori, Piergiorgio Casavecchia, 傅碧娜, Joel M. Bowman
JOURNAL OF PHYSICAL CHEMISTRY A

44. A theoretical study on bond dissociation enthalpies of coal based model compounds
李璐,樊红军,胡浩权
FUEL

45. Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
吴国荣, Simon P. Neville, Oliver Schalk, Taro Sekikawa, Michael N. R. Ashfold, Graham A. Worth, Albert Stolow
JOURNAL OF CHEMICAL PHYSICS

46. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal
赵斌,孙志刚,郭华
JOURNAL OF CHEMICAL PHYSICS




 

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