Bin Gao
机构: Senior researcher, Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The
主页: hylleraas.no
每年引用次数
引用次数
引用: 1,193
H-指数: 20
I10-指数 : 34
出版物: 60
A magic structural factor in hydrogen-terminated nanodiamond clusters
Jinlong Yang , Jun Jiang , Lian Sun , Wei Lu
Physical Review Letters
2008
NEXAFS spectroscopies of blocked alanine in water solution from first-principles simulations
Hans Ågren , Weijie Hua , Yi Luo , Bin Gao
2011
Quantum chemistry study of energy band structures of GaAs nano clusters
Jun Jiang , Ying Fu , Tiantian Han , Bin Gao
2008
The RRS-PBC Method : Bridge Finite Cluster to Crystalline Bulk Solid
Jun Jiang , Yi Luo , Bin Gao , Xin Xu
Chemical Physics Letters
2011
Spectral identification of fullerene C82 isomers.
Bin Gao , Lei Liu , ChunRu Wang , ZiYu Wu
Journal of Chemical Physics 127 ( 16) 164314 -164314
23
2007
Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation
Andreas J. Thorvaldsen , Bin Gao , Kenneth Ruud , Maxim Fedorovsky
Chirality 24 ( 12) 1018 -1030
13
2012
General recurrence-relation generation scheme for molecular integral evaluation.
Bin Gao
Journal of Computational Chemistry 41 ( 32) 2722 -2739
2020
Refinement of DNA Structures through Near-Edge X-ray Absorption Fine Structure Analysis: Applications on Guanine and Cytosine Nucleobases, Nucleosides, and Nucleotides
Weijie Hua , Bin Gao , Shuhua Li , Hans Ågren
Journal of Physical Chemistry B 114 ( 41) 13214 -13222
19
2010
A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives
Yunfeng Deng , Bin Gao , Mingsen Deng , Yi Luo
Journal of Chemical Physics 140 ( 12) 124304 -124304
5
2014
Theoretical study of two Ih-symmetry-breaking C60 isomers and their chlorinated species in core-excited and ground states
Jiayuan Qi , Weijie Hua , Bin Gao
Chemical Physics Letters 539 222 -228
16
2012
Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets
Daniel H. Friese , Magnus Ringholm , Bin Gao , Kenneth Ruud
Journal of Chemical Theory and Computation 11 ( 10) 4814 -4824
4
2015
Molecular quantum mechanical gradients within the polarizable embedding approach—Application to the internal vibrational Stark shift of acetophenone
Nanna Holmgaard List , Maarten T. P. Beerepoot , Jógvan Magnus Haugaard Olsen , Bin Gao
Journal of Chemical Physics 142 ( 3) 034119
21
2015
X-ray spectroscopy of blocked alanine in water solution from supermolecular and supermolecular-continuum solvation models: a first-principles study
Weijie Hua , Yue-Jie Ai , Bin Gao , Hongbao Li
Physical Chemistry Chemical Physics 14 ( 27) 9666 -9675
14
2012
An efficient first-principle approach for electronic structures calculations of nanomaterials
Bin Gao , Jun Jiang , Kai Liu , Ziyu Wu
Journal of Computational Chemistry 29 ( 3) 434 -444
9
2008
Bio-nano interaction of proteins adsorbed on single-walled carbon nanotubes
Jun Zhong , Li Song , Jie Meng , Bin Gao
Carbon 47 ( 4) 967 -973
55
2009
Understanding the scattering mechanism of single-walled carbon nanotube based gas sensors
Jun Zhong , Jinghua Guo , Bin Gao , Jau-Wern Chiou
Carbon 48 ( 7) 1970 -1976
11
2010
Perturbed atoms in molecules and solids: The PATMOS model.
Inge Røeggen , Bin Gao
Journal of Chemical Physics 139 ( 9) 094104 -094104
1
2013
Combination of large and small basis sets in electronic structure calculations on large systems
Inge Røeggen , Bin Gao
Journal of Chemical Physics 148 ( 13) 134118 -134118
2018
Structure dependent quantum confinement effect in hydrogen-terminated nanodiamond clusters
Jun Jiang , Lian Sun , Bin Gao , Ziyu Wu
Journal of Applied Physics 108 ( 9) 094303
16
2010
Simulation of electronic structure of nanomaterials by central insertion scheme
Bin Gao , Jun Jiang , Yi Luo
Frontiers of Physics in China 4 ( 3) 307 -314
2009