[[alternative]]Theoretical Studies in Giant Fullerene, Carbon Nanotubes, Organic Compound and Catalysts in NMR Shift and Simulation in HPLC.

[[alternative]]Research of Organic Syntheis for Applications on Chemosensor and Material

李世元

計畫編號：NSC98-2119-M032-002-MY3研究期間：201008~201107研究經費：2,116,000[[sponsorship]]行政院國家科學委員

Upgrades to NRLMOL code

Basurto, Luis

January 2013

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure c...

Toward synthesis and characterization of unconventional C-66 and C-68 fullerenes inside carbon nanotubes

Zolyomi, Viktor
Peterlik, Herwig
Bernardi, Johannes
Bokor, Monika
Laszlo, Istvan
Koltai, Janos
Kuerti, Jeno
Knupfer, Martin
Kuzmany, Hans
Pichler, Thomas
Simon, Ferenc

December 2014

We present compelling evidence pointing to the possible synthesis of unconventional C-66 and C-68 fu...

[[alternative]]Theoretical Studies in Filled Carbon Nanotubes, Polymer Adsorbed on Solid Surface, Metalofullerenes, Azulenes Derivatives

王伯昌

計畫編號：NSC87-2113-M032-006-CT研究期間：199708~199807研究經費：647,000[[sponsorship]]行政院國家科學委員

[[alternative]]The Theoretical Computation and Simulation in Nanomaterials and Organic Compounds

王伯昌

計畫編號：NSC98-2113-M032-004-MY3 研究期間：200908~201007 研究經費：1,297,000[[sponsorship]]行政院國家科學委員

[[alternative]]The Preparation, Theory Chemical and Physical Properties of Heterful Lerenes and Fullerences

王伯昌

計畫編號：NSC82-0208-M032-031研究期間：199302~199401研究經費：1,032,000[[sponsorship]]行政院國家科學委員

[[alternative]]Fullerenes and Heterofullerenes-Preparation and Electrochemistry

王文竹

計畫編號：NSC85-2113-M032-008-CC研究期間：199508~199607研究經費：876,000[[sponsorship]]行政院國家科學委員

[[alternative]]Computational Chemistry and Molecular Modeling (I)

王伯昌

計畫編號：NSC89-2113-M032-020研究期間：200008~200110研究經費：1,187,000[[sponsorship]]行政院國家科學委員

Theoretical study of fullerences and carbon nanotubes

Wang, Xiaohui

January 2000

This thesis is composed of three parts. Part I describes a DFT study of the C60 dimer cations and an...

[[alternative]]Theoretical Investigation of Nanomaterials (I)

王伯昌

計畫編號：NSC91-2113-M032-005研究期間：200208~200307研究經費：1,178,000[[sponsorship]]行政院國家科學委員

Stepwise computational synthesis of fullerene C60 derivatives. Fluorinated fullerenes C60F2k

Sheka E.F.

March 2020

Reactions of fullerene C60 with atomic fluorine are studied by the unrestricted broken spin symmetry...

Theoretical Studies on Giant Fullerenes and on Endohedral Fullerene Complexes

Bakowies, D.
Bühl, M.
Patchkovskii, S.
Thiel, W.

January 1996

Ab initio SCF, density functional, and semiempirical methods have been used to study selected topics...

13C NMR and Fukui function analysis on C82 hydroxylated fullerene through density functional theory

Mendez-Barrientos, C.I.
Flores-Moreno, R.
Munoz-Maciel, J.
Rodriguez-Zavala, J.G.

January 2014

Density functional theory calculations were performed on C82 hydroxylated fullerene. B3LYP and PBE0 ...

Fullerene. Technologieanalyse

Eickenbusch, H.
Haertwich, P.
VDI-Technologiezentrum Physikalische Technologien, Duesseldorf (Germany). Abt. Zukuenftige Technologien

January 1993

Fullerenes are carbon clusters (C_n, n=60, 70, 76, 78, 84...960) of spherical configurations or of c...

Upgrades to NRLMOL Code

Basurto, Luis

January 2013

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure c...

[[alternative]]Research of Organic Syntheis for Applications on Chemosensor and Material

李世元

計畫編號：NSC98-2119-M032-002-MY3研究期間：201008~201107研究經費：2,116,000[[sponsorship]]行政院國家科學委員

Upgrades to NRLMOL code

Basurto, Luis

January 2013

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure c...

Toward synthesis and characterization of unconventional C-66 and C-68 fullerenes inside carbon nanotubes

Zolyomi, Viktor
Peterlik, Herwig
Bernardi, Johannes
Bokor, Monika
Laszlo, Istvan
Koltai, Janos
Kuerti, Jeno
Knupfer, Martin
Kuzmany, Hans
Pichler, Thomas
Simon, Ferenc

December 2014

We present compelling evidence pointing to the possible synthesis of unconventional C-66 and C-68 fu...

[[alternative]]Theoretical Studies in Filled Carbon Nanotubes, Polymer Adsorbed on Solid Surface, Metalofullerenes, Azulenes Derivatives

王伯昌

計畫編號：NSC87-2113-M032-006-CT研究期間：199708~199807研究經費：647,000[[sponsorship]]行政院國家科學委員

[[alternative]]The Theoretical Computation and Simulation in Nanomaterials and Organic Compounds

王伯昌

計畫編號：NSC98-2113-M032-004-MY3 研究期間：200908~201007 研究經費：1,297,000[[sponsorship]]行政院國家科學委員

[[alternative]]The Preparation, Theory Chemical and Physical Properties of Heterful Lerenes and Fullerences

王伯昌

計畫編號：NSC82-0208-M032-031研究期間：199302~199401研究經費：1,032,000[[sponsorship]]行政院國家科學委員

[[alternative]]Fullerenes and Heterofullerenes-Preparation and Electrochemistry

王文竹

計畫編號：NSC85-2113-M032-008-CC研究期間：199508~199607研究經費：876,000[[sponsorship]]行政院國家科學委員

[[alternative]]Computational Chemistry and Molecular Modeling (I)

王伯昌

計畫編號：NSC89-2113-M032-020研究期間：200008~200110研究經費：1,187,000[[sponsorship]]行政院國家科學委員

Theoretical study of fullerences and carbon nanotubes

Wang, Xiaohui

January 2000

This thesis is composed of three parts. Part I describes a DFT study of the C60 dimer cations and an...

[[alternative]]Theoretical Investigation of Nanomaterials (I)

王伯昌

計畫編號：NSC91-2113-M032-005研究期間：200208~200307研究經費：1,178,000[[sponsorship]]行政院國家科學委員

Stepwise computational synthesis of fullerene C60 derivatives. Fluorinated fullerenes C60F2k

Sheka E.F.

March 2020

Reactions of fullerene C60 with atomic fluorine are studied by the unrestricted broken spin symmetry...

Theoretical Studies on Giant Fullerenes and on Endohedral Fullerene Complexes

Bakowies, D.
Bühl, M.
Patchkovskii, S.
Thiel, W.

January 1996

Ab initio SCF, density functional, and semiempirical methods have been used to study selected topics...

13C NMR and Fukui function analysis on C82 hydroxylated fullerene through density functional theory

Mendez-Barrientos, C.I.
Flores-Moreno, R.
Munoz-Maciel, J.
Rodriguez-Zavala, J.G.

January 2014

Density functional theory calculations were performed on C82 hydroxylated fullerene. B3LYP and PBE0 ...

Fullerene. Technologieanalyse

Eickenbusch, H.
Haertwich, P.
VDI-Technologiezentrum Physikalische Technologien, Duesseldorf (Germany). Abt. Zukuenftige Technologien

January 1993

Fullerenes are carbon clusters (C_n, n=60, 70, 76, 78, 84...960) of spherical configurations or of c...

Upgrades to NRLMOL Code

Basurto, Luis

January 2013

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure c...

[[alternative]]Research of Organic Syntheis for Applications on Chemosensor and Material

李世元

計畫編號：NSC98-2119-M032-002-MY3研究期間：201008~201107研究經費：2,116,000[[sponsorship]]行政院國家科學委員

Upgrades to NRLMOL code

Basurto, Luis

January 2013

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure c...

Toward synthesis and characterization of unconventional C-66 and C-68 fullerenes inside carbon nanotubes

Zolyomi, Viktor
Peterlik, Herwig
Bernardi, Johannes
Bokor, Monika
Laszlo, Istvan
Koltai, Janos
Kuerti, Jeno
Knupfer, Martin
Kuzmany, Hans
Pichler, Thomas
Simon, Ferenc

December 2014

We present compelling evidence pointing to the possible synthesis of unconventional C-66 and C-68 fu...

[[alternative]]Theoretical Studies in Giant Fullerene, Carbon Nanotubes, Organic Compound and Catalysts in NMR Shift and Simulation in HPLC.

Abstract

Extracted data

[[alternative]]Theoretical Studies in Giant Fullerene, Carbon Nanotubes, Organic Compound and Catalysts in NMR Shift and Simulation in HPLC.

Abstract

Extracted data

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