Guangyu Sun

发表

Isomer Identification for Fullerene C84by13C NMR Spectrum: A Density-Functional Theory Study

M. Kertész, Guangyu Sun, 2001 .

Using conformationally locked nucleosides to calibrate the anomeric effect: Implications for glycosyl bond stability.

Kristie M. Adams, J. Deschamps, H. Moon, 2010, Tetrahedron.

Performance of the Vienna ab initio simulation package (VASP) in chemical applications

Georg Kresse, Jürgen Hafner, G. Kresse, 2003 .

Dimensional changes as a function of charge injection in single-walled carbon nanotubes.

R. Baughman, M. Kertész, J. Kürti, 2002, Journal of the American Chemical Society.

Natural resonance structures and aromaticity of the nucleobases

M. Nicklaus, Guangyu Sun, 2007 .

PROSIT: Pseudo-Rotational Online Service and Interactive Tool, Applied to a Conformational Survey of Nucleosides and Nucleotides

Igor V. Filippov, Guangyu Sun, Johannes H. Voigt, 2004, J. Chem. Inf. Model..

Tuning Spectral Properties of Fullerenes by Substitutional Doping

V. H. Smith, G. Bryant, Zhongfang Chen, 2004 .

Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.

V. H. Smith, M. Manaa, M. Nicklaus, 2003, The Journal of chemical physics.

Theoretical 13C NMR spectra of IPR isomers of fullerene C80: a density functional theory study

M. Kertész, Miklos Kertesz, Guangyu Sun, 2000 .

Sculpting the bicyclo[3.1.0]hexane template of carbocyclic nucleosides to improve recognition by herpes thymidine kinase.

J. Deschamps, Chenzhong Liao, M. Nicklaus, 2007, Journal of the American Chemical Society.

Synthesis and Conformational Analysis of a Locked Analogue of Carbovir Built on a Bicyclo[3.1.0]-hex-2-enyl Template

Marc C Nicklaus, Clifford George, C. George, 2003, Nucleosides, Nucleotides & Nucleic Acids.

Single-Walled Carbon Nanotubes: Geometries, Electronic Properties, and Actuation

M. Kertész, M. Nicklaus, Guangyu Sun, 2014 .

Dimensional change as a function of charge injection in graphite intercalation compounds: A density functional theory study

R. Baughman, M. Kertész, J. Kürti, 2003 .

Dimensional changes as a function of charge injection for trans-polyacetylene: A density functional theory study

R. Baughman, M. Kertész, J. Kürti, 2002 .

Photocatalytic Properties of g-C6N6/g-C3N4 Heterostructure: A Theoretical Study

Yuchen Ma, Mingsen Deng, Guangyu Sun, 2016 .

Variations of the geometries and band gaps of single-walled carbon nanotubes and the effect of charge injection

Ray H. Baughman, R. Baughman, M. Kertész, 2003 .

The geometry and the radial breathing mode of carbon nanotubes: beyond the ideal behaviour

M. Kertész, V. Zólyomi, J. Kürti, 2003 .

PROSIT, AN ONLINE SERVICE TO CALCULATE PSEUDOROTATIONAL PARAMETERS OF NUCLEOSIDES AND NUCLEOTIDES

Marc C Nicklaus, M. Nicklaus, J. Voigt, 2005, Nucleosides, nucleotides & nucleic acids.

Synthesis and Conformational Analysis of a Locked Analogues of Carbovir Built on a Bicyclo[3.1.0]hex-2-enyl Template.

C. George, M. Nicklaus, V. Marquez, 2004 .

Isotope effect on the quantum thermal transport of carbyne

J. Zhao, Lei Shi, Guangyu Sun, 2018 .

Density functional theory

Guangyu Sun, M. Kertesz, 2019, Mathematical Physics in Theoretical Chemistry.

Theoretical 13C NMR chemical shifts of the stable isomers of fullerene C90

Guangyu Sun, 2003 .

Individualities and average behavior in the physical properties of small diameter single-walled carbon nanotubes

R. Baughman, M. Kertész, V. Zólyomi, 2004 .

Fullerenes: Isomer Identification

Guangyu Sun, 2014 .

Theoretical evidence for the major isomers of fullerene C84 based on 13C NMR chemical shifts

M. Kertész, Guangyu Sun, 2000 .

Structure, stability, and NMR properties of lower fullerenes C38-C50 and azafullerene C44N6.

M. Nicklaus, R. Xie, Guangyu Sun, 2005, The journal of physical chemistry. A.