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1

Effect of hydrogen on grain boundary migration in tungsten

Yu, Yi, Shu, XiaoLin, Liu, YiNan, Niu, LiangLiang, Jin, Shuo, Gao, Fei, Lu, GuangHong

Journal:

SCIENCE CHINA Physics, Mechanics & Astronomy

Année:

2015

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2015

2

First-Principles Study of Nonradiative Recombination in Silicon Nanocrystals: The Role of Surface Silanol

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2016

3

Dislocation core structures of tungsten with dilute solute hydrogen

Wang, Yinan, Li, Qiulin, Li, Chengliang, Shu, Guogang, Xu, Ben, Liu, Wei

Journal:

Journal of Nuclear Materials

Année:

2017

Langue:

english

Fichier:

PDF, 4.85 MB

english, 2017

4

Prediction of liquid hydrogen flow boiling critical heat flux condition under microgravity based on the wall heat flux partition model

Zheng, Yao, Chang, Huawei, Qiu, Yinan, Duan, Chen, Chen, Jianye, Chen, Hong, Shu, Shuiming

Journal:

International Journal of Hydrogen Energy

Année:

2020

Langue:

english

Fichier:

PDF, 2.34 MB

english, 2020

5

Relationships Between Orbital Energies, Optical and Fundamental Gaps, and Exciton Shifts in Approximate Density Functional Theory and Quasiparticle Theory

Shu, Yinan, Truhlar, Donald G.

Journal:

Journal of Chemical Theory and Computation

Année:

2020

Fichier:

PDF, 1.08 MB

2020

6

Effect of RF on RF nitrogen discharge with induced argon plasma at high pressure

WANG, YINAN, LIU, YUE, ZHENG, SHU, LIN, GUOQIANG

Journal:

Journal of Plasma Physics

Année:

2012

Langue:

english

Fichier:

PDF, 306 KB

english, 2012

7

Fe self-diffusion and Cu and Ni diffusion in bulk and grain boundary of Fe: A molecular dynamics study

Shu, Xiaolin, Li, Xiaochun, Yu, Yi, Liu, Yinan, Wu, Tiefeng, Shuo, Yuan, Lu, Guanghong

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2013

Langue:

english

Fichier:

PDF, 319 KB

english, 2013

8

Do Excited Silicon–Oxygen Double Bonds Emit Light?

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 2.25 MB

english, 2014

9

[IEEE Multimedia Technology (IC-BNMT 2011) - Shenzhen, China (2011.10.28-2011.10.30)] 2011 4th IEEE International Conference on Broadband Network and Multimedia Technology - The implementation and application of user-space RSS technology in traffic monitoring system

Li, Shu, Yang, Fan, Dou, Yinan, Lei, Zhenming

Année:

2011

Langue:

english

Fichier:

PDF, 176 KB

english, 2011

10

Communication: Non-radiative recombination via conical intersection at a semiconductor defect

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 888 KB

english, 2013

11

Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.80 MB

english, 2013

12

Polyatomic Molecules under Intense Femtosecond Laser Irradiation

Konar, Arkaprabha, Shu, Yinan, Lozovoy, Vadim V., Jackson, James E., Levine, Benjamin G., Dantus, Marcos

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 4.49 MB

english, 2014

13

Nonradiative Recombination via Conical Intersections Arising at Defects on the Oxidized Silicon Surface

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 2.69 MB

english, 2015

14

Molecular Statics Simulation of Hydrogen Defect Interaction in Tungsten

Li, Xiaochun, Liu, Yinan, Yu, Yi, Niu, Guojian, Luo, Guangnan, Shu, Xiaolin

Journal:

Plasma Science and Technology

Année:

2015

Langue:

english

Fichier:

PDF, 603 KB

english, 2015

15

Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states

Shu, Yinan, Hohenstein, Edward G., Levine, Benjamin G.

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 4.59 MB

english, 2015

16

[IEEE 2014 IEEE 17th International Conference on Computational Science and Engineering (CSE) - Chengdu, China (2014.12.19-2014.12.21)] 2014 IEEE 17th International Conference on Computational Science and Engineering - Web Classification Using Deep Belief Networks

Sun, Shu, Liu, Fang, Liu, Jun, Dou, Yinan, Yu, Hua

Année:

2014

Langue:

english

Fichier:

PDF, 283 KB

english, 2014

17

Defect-Induced Conical Intersections Promote Nonradiative Recombination

Shu, Yinan, Fales, B. Scott, Levine, Benjamin G.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 2.52 MB

english, 2015

18

Simulated evolution of fluorophores for light emitting diodes

Shu, Yinan, Levine, Benjamin G.

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 5.65 MB

english, 2015

19

Surface Structure and Silicon Nanocrystal Photoluminescence: The Role of Hypervalent Silyl Groups

Shu, Yinan, Kortshagen, Uwe R., Levine, Benjamin G., Anthony, Rebecca Joy

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2015

20

CRISPR-Cas9 mediated efficient PD-1 disruption on human primary T cells from cancer patients

Su, Shu, Hu, Bian, Shao, Jie, Shen, Bin, Du, Juan, Du, Yinan, Zhou, Jiankui, Yu, Lixia, Zhang, Lianru, Chen, Fangjun, Sha, Huizi, Cheng, Lei, Meng, Fanyan, Zou, Zhengyun, Huang, Xingxu, Liu, Baorui

Journal:

Scientific Reports

Année:

2016

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2016

21

Corrigendum: CRISPR-Cas9 mediated efficient PD-1 disruption on human primary T cells from cancer patients

Su, Shu, Hu, Bian, Shao, Jie, Shen, Bin, Du, Juan, Du, Yinan, Zhou, Jiankui, Yu, Lixia, Zhang, Lianru, Chen, Fangjun, Sha, Huizi, Cheng, Lei, Meng, Fanyan, Zou, Zhengyun, Huang, Xingxu, Liu, Baorui

Journal:

Scientific Reports

Année:

2017

Langue:

english

Fichier:

PDF, 514 KB

english, 2017

22

Dual-Functional Tamm–Dancoff Approximation: A Convenient Density Functional Method that Correctly Describes S 1 /S 0 Conical Intersections

Shu, Yinan, Parker, Kelsey A., Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Année:

2017

Langue:

english

Fichier:

PDF, 2.04 MB

english, 2017

23

Understanding Non-Radiative Recombination through Defect-Induced Conical Intersections

Shu, Yinan, Fales, B. Scott, Peng, Wei-Tao, Levine, Benjamin G.

Journal:

The Journal of Physical Chemistry Letters

Année:

2017

Langue:

english

Fichier:

PDF, 973 KB

english, 2017

24

Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene?

Shu, Yinan, Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 3.43 MB

english, 2017

25

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors

Fales, B. Scott, Shu, Yinan, Levine, Benjamin G., Hohenstein, Edward G.

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 7.57 MB

english, 2017

26

Dynamics of recombination via conical intersection in a semiconductor nanocrystal

Peng, Wei-Tao, Fales, B. Scott, Shu, Yinan, Levine, Benjamin G.

Journal:

Chemical Science

Année:

2018

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2018

27

Dual-Functional Tamm-Dancoff Approximation with Self-Interaction-Free Orbitals: Vertical Excitation Energies and Potential Energy Surfaces Near an Intersection Seam

Shu, Yinan, Parker, Kelsey Anne, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Année:

2017

Langue:

english

Fichier:

PDF, 7.28 MB

english, 2017

28

Comparative analysis of the toxicity of gold nanoparticles in zebrafish

Patibandla, Srinath, Zhang, Yinan, Tohari, Ali Mohammad, Gu, Peng, Reilly, James, Chen, Yu, Shu, Xinhua

Journal:

Journal of Applied Toxicology

Année:

2018

Langue:

english

Fichier:

PDF, 759 KB

english, 2018

29

Inhibition of pregnancy-associated granulocytic myeloid-derived suppressor cell expansion and arginase-1 production in preeclampsia

Wang, Yinan, Liu, Yanhou, Shu, Chang, Wan, Jiya, Shan, Yanhong, Zhi, Xinyi, Sun, Liguang, Yi, Huanfa, Yang, Yong-Guang, He, Jin

Journal:

Journal of Reproductive Immunology

Année:

2018

Langue:

english

Fichier:

PDF, 2.67 MB

english, 2018

30

Preparation of a fusiform shape MnO/C composite as anode materials for lithium-ion batteries

Pei, Xian-Yinan, Mo, Dong-Chuan, Lyu, Shu-Shen, Zhang, Jian-Hui, Fu, Yuan-Xiang

Journal:

Journal of Materials Science: Materials in Electronics

Année:

2018

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2018

31

Improved Potential Energy Surfaces of Thioanisole and the Effect of Upper Surface Variations on the Product Distribution Upon Photodissociation

Shu, Yinan, Truhlar, Donald G.

Journal:

Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2018

32

Anthrax Lethal Toxin Suppresses Murine Cardiomyocyte Contractile Function and Intracellular Ca2+ Handling via a NADPH Oxidase-Dependent Mechanism

Kandadi, Machender R., Hua, Yinan, Ma, Heng, Li, Qun, Kuo, Shu-ru, Frankel, Arthur E., Ren, Jun, Degtyar, Vadim E.

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 4.09 MB

english, 2010

33

Positive Feedback Cycle of TNFα Promotes Staphylococcal Enterotoxin B-Induced THP-1 Cell Apoptosis

Zhang, Xiaopeng, Shang, Weilong, Yuan, Jizhen, Hu, Zhen, Peng, Huagang, Zhu, Junmin, Hu, Qiwen, Yang, Yi, Liu, Hui, Jiang, Bei, Wang, Yinan, Li, Shu, Hu, Xiaomei, Rao, Xiancai

Journal:

Frontiers in Cellular and Infection Microbiology

Année:

2016

Langue:

english

Fichier:

PDF, 3.70 MB

english, 2016

34

Panton-Valentine Leucocidin (PVL) as a Potential Indicator for Prevalence, Duration, and Severity of Staphylococcus aureus Osteomyelitis

Jiang, Bei, Wang, Yinan, Feng, Zihan, Xu, Lei, Tan, Li, Zhao, Shuang, Gong, Yali, Zhang, Cheng, Luo, Xiaoqiang, Li, Shu, Rao, Xiancai, Peng, Yizhi, Xie, Zhao, Hu, Xiaomei

Journal:

Frontiers in Microbiology

Année:

2017

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2017

35

Catalytic Enantioselective and Regioselective Substitution of 2,3-Indolyldimethanols with Enaminones

Lu, Yinan, Ma, Chun, Lan, Jin-Ping, Zhu, Caiqiang, Mao, Yu-Jia, Mei, Guang-Jian, Zhang, Shu, Shi, Feng

Journal:

Organic Chemistry Frontiers

Année:

2018

Langue:

english

Fichier:

PDF, 791 KB

english, 2018

36

Fabrication of NiO-ZnO/RGO composite as an anode material for lithium-ion batteries

Ma, Liang, Pei, Xian-Yinan, Mo, Dong-Chuan, Lyu, Shu-Shen, Fu, Yuan-Xiang

Journal:

Ceramics International

Année:

2018

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2018

37

Preparation of novel two-stage structure MnO micrometer particles as lithium-ion battery anode materials

Pei, Xian-Yinan, Mo, Dong-Chuan, Lyu, Shu-Shen, Zhang, Jian-Hui, Fu, Yuan-Xiang

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 643 KB

english, 2018

38

Facile preparation of N-doped MnO/rGO composite as an anode material for high-performance lithium-ion batteries

Pei, Xian-Yinan, Mo, Dong-Chuan, Lyu, Shu-Shen, Zhang, Jian-Hui, Fu, Yuan-Xiang

Journal:

Applied Surface Science

Année:

2019

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2019

39

Formation of ⟨100⟩ dislocation loop in bcc-Fe via the ternary loop reaction

Wang, Xiaoyang, Gao, Ning, Wang, Yinan, Wu, Xiaoyu, Shu, Guogang, Li, Chengliang, Li, Qiulin, Xu, Ben, Liu, Wei

Journal:

Scripta Materialia

Année:

2019

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2019

40

Facile fabrication of NiO flakes and reduced graphene oxide (NiO/RGO) composite as anode material for lithium-ion batteries

Ma, Liang, Pei, Xian-Yinan, Mo, Dong-Chuan, Heng, Yi, Lyu, Shu-Shen, Fu, Yuan-Xiang

Journal:

Journal of Materials Science: Materials in Electronics

Année:

2019

Fichier:

PDF, 1.98 MB

2019

41

Extended Hamiltonian molecular dynamics: semiclassical trajectories with improved maintenance of zero point energy

Shu, Yinan, Dong, Sijia S., Parker, Kelsey A., Bao, Junwei L., Zhang, Linyao, Truhlar, Donald G.

Journal:

Physical Chemistry Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 5.12 MB

english, 2018

42

Synthesis of macroporous carbon materials as anode material for high-performance lithium-ion batteries

Fu, Yuan-Xiang, Pei, Xian-Yinan, Mo, Dong-Chuan, Lyu, Shu-Shen

Journal:

Journal of Materials Science: Materials in Electronics

Année:

2019

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2019

43

Facile fabrication of NiO flakes and reduced graphene oxide (NiO/RGO) composite as anode material for lithium-ion batteries

Ma, Liang, Pei, Xian-Yinan, Mo, Dong-Chuan, Heng, Yi, Lyu, Shu-Shen, Fu, Yuan-Xiang

Journal:

Journal of Materials Science: Materials in Electronics

Année:

2019

Langue:

english

Fichier:

PDF, 1.98 MB

english, 2019

44

A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites

Esch, Michael P., Shu, Yinan, Levine, Benjamin G.

Journal:

Journal of Physical Chemistry A

Année:

2019

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2019

45

Hydrogen distribution induced screw dislocation core spreading in tungsten

Wang, Yinan, Wang, Xiaoyang, Wu, Xiaoyu, Li, Qiulin, Li, Chengliang, Shu, Guogang, Xu, Ben, Liu, Wei

Journal:

Journal of Nuclear Materials

Année:

2019

Langue:

english

Fichier:

PDF, 3.94 MB

english, 2019

46

Hydrogen distribution induced screw dislocation core spreading in tungsten

Wang, Yinan, Wang, Xiaoyang, Wu, Xiaoyu, Li, Qiulin, Li, Chengliang, Shu, Guogang, Xu, Ben, Liu, Wei

Journal:

Journal of Nuclear Materials

Année:

2019

Fichier:

PDF, 3.94 MB

2019

47

Lithium storage properties of NiO/reduced graphene oxide composites derived from different oxidation degrees of graphite oxide

Ma, Liang, Lyu, Shu-Shen, Dai, Yao, Pei, Xian-Yinan, Mo, Dong-Chuan, Fu, Yuan-Xiang

Journal:

Journal of Alloys and Compounds

Année:

2019

Langue:

english

Fichier:

PDF, 2.57 MB

english, 2019

48

Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2 Σ + state of OH by molecular hydrogen

Shu, Yinan, Kryven, Joanna, Sampaio de Oliveira-Filho, Antonio Gustavo, Zhang, Linyao, Song, Guo-Liang, Li, Shaohong L., Meana-Pañeda, Rubén, Fu, Bina, Bowman, Joel M., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 13.13 MB

english, 2019

49

TiO2 nanorods anchor on reduced graphene oxide (R-TiO2/rGO) composite as anode for high performance lithium-ion batteries

Fu, Yuan-Xiang, Dai, Yao, Pei, Xian-Yinan, Lyu, Shu-Shen, Heng, Yi, Mo, Dong-Chuan

Journal:

Applied Surface Science

Année:

2019

Langue:

english

Fichier:

PDF, 2.35 MB

english, 2019

50

TiO2 nanorods anchor on reduced graphene oxide (R-TiO2/rGO) composite as anode for high performance lithium-ion batteries

Fu, Yuan-Xiang, Dai, Yao, Pei, Xian-Yinan, Lyu, Shu-Shen, Heng, Yi, Mo, Dong-Chuan

Journal:

Applied Surface Science

Année:

2019

Fichier:

PDF, 2.35 MB

2019