Yaoquan Tu
Yaoquan Tu
Verified email at theochem.kth.se
Title
Cited by
Cited by
Year
The electronic properties of water molecules in water clusters and liquid water
Y Tu, A Laaksonen
Chemical Physics Letters 329 (3-4), 283-288, 2000
1222000
Organelle-specific triggered release of immunostimulatory oligonucleotides from intrinsically coordinated DNA–metal–organic frameworks with soluble exoskeleton
Z Wang, Y Fu, Z Kang, X Liu, N Chen, Q Wang, Y Tu, L Wang, S Song, ...
Journal of the American Chemical Society 139 (44), 15784-15791, 2017
1092017
On the Mechanism of Protein Adsorption onto Hydroxylated and Nonhydroxylated TiO2 Surfaces
Y Kang, X Li, Y Tu, Q Wang, H Ågren
The Journal of Physical Chemistry C 114 (34), 14496-14502, 2010
852010
Na+ and K+ ion selectivity by size-controlled biomimetic graphene nanopores
Y Kang, Z Zhang, H Shi, J Zhang, L Liang, Q Wang, H Ågren, Y Tu
Nanoscale 6 (18), 10666-10672, 2014
792014
On the effect of Lennard-Jones parameters on the quantum mechanical and molecular mechanical coupling in a hybrid molecular dynamics simulation of liquid water
Y Tu, A Laaksonen
The Journal of chemical physics 111 (16), 7519-7525, 1999
691999
Surface-Active cis-Pinonic Acid in Atmospheric Droplets: A Molecular Dynamics Study
X Li, T Hede, Y Tu, C Leck, H Ågren
The Journal of Physical Chemistry Letters 1 (4), 769-773, 2010
552010
The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation
Q Zhang, H Brumer, H Ågren, Y Tu
Carbohydrate Research 346 (16), 2595-2602, 2011
542011
A molecular dynamics study of the thermal response of crystalline cellulose Iβ
Q Zhang, V Bulone, H Ågren, Y Tu
Cellulose 18 (2), 207-221, 2011
522011
Molecular dynamics simulations of the surface tension and structure of salt solutions and clusters
L Sun, X Li, T Hede, Y Tu, C Leck, H Ågren
The Journal of Physical Chemistry B 116 (10), 3198-3204, 2012
502012
Effects of graphene nanopore geometry on DNA sequencing
Z Zhang, J Shen, H Wang, Q Wang, J Zhang, L Liang, H Ågren, Y Tu
The journal of physical chemistry letters 5 (9), 1602-1607, 2014
492014
Modulation of iridium (III) phosphorescence via photochromic ligands: a density functional theory study
X Li, Q Zhang, Y Tu, H Ågren, H Tian
Physical Chemistry Chemical Physics 12 (41), 13730-13736, 2010
482010
Working mechanism for a redox switchable molecular machine based on cyclodextrin: a free energy profile approach
Q Zhang, Y Tu, H Tian, YL Zhao, JF Stoddart, H Ågren
The Journal of Physical Chemistry B 114 (19), 6561-6566, 2010
472010
Investigation of the binding profiles of AZD2184 and Thioflavin T with amyloid-β (1–42) fibril by molecular docking and molecular dynamics methods
G Kuang, NA Murugan, Y Tu, A Nordberg, H Ågren
The Journal of Physical Chemistry B 119 (35), 11560-11567, 2015
452015
Theoretical study on key factors in DNA sequencing with graphene nanopores
L Liang, P Cui, Q Wang, T Wu, H Ågren, Y Tu
RSC advances 3 (7), 2445-2453, 2013
432013
Core electron chemical shifts of hydrogen-bonded structures
G Tu, Y Tu, O Vahtras, H Ågren
Chemical Physics Letters 468 (4-6), 294-298, 2009
382009
Effects of laser irradiation on the structure and optical properties of ZnO thin films
H Lu, Y Tu, X Lin, B Fang, D Luo, A Laaksonen
Materials Letters 64 (19), 2072-2075, 2010
372010
Two-photon absorption of hydrogen-bonded octupolar molecule clusters
K Liu, Y Wang, Y Tu, H Ågren, Y Luo
The Journal of Physical Chemistry B 112 (14), 4387-4392, 2008
332008
Electric field poled polymeric nonlinear optical systems: molecular dynamics simulations of poly (methyl methacrylate) doped with disperse red chromophores
Y Tu, Q Zhang, H Ågren
The Journal of Physical Chemistry B 111 (14), 3591-3598, 2007
332007
Can octupolar molecules be poled by an external electric field?
Y Tu, Y Luo, H Ågren
The Journal of Physical Chemistry B 109 (35), 16730-16735, 2005
332005
Hierarchical multiscale modelling scheme from first principles to mesoscale
A Lyubartsev, Y Tu, A Laaksonen
Journal of Computational and Theoretical Nanoscience 6 (5), 951-959, 2009
322009
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Articles 1–20