(2006)
Quasiclassical trajectory calculations of the reaction C+ C2H2 -> l-C3H, c-C3H + H, C3 + H2 using full dimensional triplet and singlet potential energy surfaces.
JOURNAL OF CHEMICAL PHYSICS.
125,
8
(2005)
Construction of a global potential energy surface from novel ab initio molecular dynamics for the O(3P) + C3H3 reaction.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY.
4,
1
(2005)
Construction of a global potential energy surface from novel ab initio molecular dynamics for the O(3P) + C3H3 reaction.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY.
11,
11
(2003)
3D Generalized Langevin equation approach to gas-surface reactive scattering: model H + H -> H2/Si(100)-(2X1).
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM.
630
(2003)
Ab Initio study of the Trinem antibiotic Sanfetrinem GV104326.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM.
630
(2003)
3D Generalized Langevin equation Approach to Gas-Surface Reactive Scattering: Model H+H -> H2/Si(100)-(2x1).
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM.
621,
(2002)
Pressure Effect on the Density of Water.
JOURNAL OF PHYSICAL CHEMISTRY A.
106,
(2002)
Quantum Mechanical Study of the o(1D)+HCl -> OH + Cl Reactions.
BULLETIN OF THE KOREAN CHEMICAL SOCIETY.
23,
2
(2002)
Pressure Effect on the Density of Water.
JOURNAL OF PHYSICAL CHEMISTRY A.
1,
1
(2002)
Quantum mechanical study of the O(1D) + HCl -> OH + Cl reaction.
BULLETIN OF THE KOREAN CHEMICAL SOCIETY.
1,
1
(2000)
3D Generalized Langevin Equation(GLE) Approach to Gas-Surface Energy Transfer : Model H + H -> H2/Si(100)-(2X1).
BULLETIN OF THE KOREAN CHEMICAL SOCIETY.
21,
11
(2000)
The adsorption and desorption of CO on the W(111) surface.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS.
18,
4
(1999)
Construction of an accurate potential energy surface by interpolation for quantum dynamics studies of a three-body system.
JOURNAL OF CHEMICAL PHYSICS.
111,
9
(1999)
Classical and quantum mechanical studies of the CO vibrations in CO/Cu(100).
SURFACE SCIENCE.
427,
1
(1999)
Molecular orbital study of the interactions of CO molecules adsorbed on a W(111) surface.
SURFACE SCIENCE.
427,
1
(1998)
A Molecular Orbital Study of the Interactions of CO Mokecule Adsorbed on W(111) Surface.
Surface Science.
300,
3
(1998)
Classical and Quantum Mechanical Studies of CO Vibrations in CO/Cu(100).
Surface Science.
333,
3
Conference Paper
(2007)
Reaction Dynamics of the O(3P)+C3H3 reaction on a full dimensional potential energy surface.
41st IUPAC World Congress.
ITALY
(2007)
Theoretical Reaction Dynamics of the O(3P) + C3H3 Reaction.
The 12th Korea-Japan Joint Symposium on Frontiers of Molecular Science.
KOREA, REPUBLIC OF
(2006)
FULL DIMENSIONAL POTENTIAL ENERGY SURFACE AND REACTION DYNAMICS OF THE INTERSTELLAR CHEMICAL REACTION: C(3P) + C2H2 → C3H +H.
The 19th International Conference on High Resolution Molecular Spectroscopy.
Other, etc
(2005)
Construction of a global potential energy sut5face from novel ab initio molecular dynamics for the C(3P) + C2H2 reaction.
2005 International Chemical Congress of Pacific Basin Societies.
UNITED STATES
(2005)
Potential energy surface and reaction dynamics of C(3p) + C2H2.
XXI International symposium on Molecular Beams.
GREECE
(2005)
Potential energy surface and reaction dynamics of O + C3H3 reaction.
11th Japan-Korea Joint Symposium on Frontiers in Molecular Science.
JAPAN
(2004)
Ab Initio Molecular Dynamics Study of the Radical-Radical Dynamics:O(3p) + C3H3 Reaction.
1st Asian Pacific Conference on Theoretical and Computational Chemistry.
JAPAN
(2003)
Theoretical Study of Gas-Surface Scattering.
55th Southeast Regional Meetings of the American Chemical Society.
UNITED STATES
(2003)
Theoretical Study of Gas-Surface Reactive Scattering:.
The 20th International Symposium on Molecular Beam.
PORTUGAL
(2003)
Theoretical Study of Gas-Surface Reactive Scattering:Model H + H -> H2/Si(100)-(2X1).
Proceedings of 10th Korea-Japan Symposium on Theoretical/Computational Chemistry.
KOREA, REPUBLIC OF
(2002)
Computer Simulation Studies of Soft Materials:.
Proceedings of 6th World Congress of Theoretically oriented Chemists.
SWITZERLAND
(2002)
Ab Initio Study of Trinem Antibiotic Sanfetrinem GV104326.
Proceedings of 6th World Congress of the Theoretically Oriented Chemists.
SWITZERLAND
(2002)
3D Generalized Langevin Equation Approach to Gas-Surface Scattering.
Proceedings of 6th World Congress of Theoretically oriented Chemists.
SWITZERLAND
(2002)
Construction of accurate potential energy surface for the three-body system by interpolation with reaction path weight.
Bulletin of the Korean Physical Society.
KOREA, REPUBLIC OF
(2001)
Eley-Riedeal Reaction Model: H + H(ad) -> H2/Si(100)-(2x1).
대한화학회 제 88회 학술발표회.
KOREA, REPUBLIC OF
(2001)
3D GLE Approach to Eley-Riedeal Reaction : Model H + H -. H2/Si(100)-(2x1).
VAS10, Tenth International Conference on Vibrations at Surface.
FRANCE
(2000)
Ab Initio calculation of the tricyclic b-lactam antibiotic GV104326(4-methyoxytrien).
대한화학회 제 85회 학술발표회.
KOREA, REPUBLIC OF
(1999)
Classical and quantum mechanical studies of molecular vibrations in solid surface.
The 1999 French-Korea Joint Symposium on Chemical Physics.
KOREA, REPUBLIC OF
(1999)
Construction of accurate potential energy surface for three body system by interpolation with reaction path weight.
Fith Workshop on Quantum Reactive Scattering.
ITALY
(1999)
Construction of accurate potential energy surface fro three-body system by interpolation with reaction path weight.
Conference on Molecular Energy Transfer.
ITALY
