Jer-lai Kuo: search on Z-Library

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1

A LAMMPS implementation of volume–temperature replica exchange molecular dynamics

Liu, Liang-Chun, Kuo, Jer-Lai

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 2.99 MB

english, 2015

2

A first-principle study on the structure, stability and hardness of cubic BC2N

Fan, X.F., Wu, H.Y., Shen, Z.X., Kuo, Jer-Lai

Journal:

Diamond and Related Materials

Year:

2009

Language:

english

File:

PDF, 378 KB

english, 2009

3

Electronic structures of graphene/boron nitride sheet superlattices

Jungthawan, Sirichok, Limpijumnong, Sukit, Kuo, Jer-Lai

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 15.88 MB

english, 2011

4

Functionalizing Single- and Multi-layer Graphene with Br and Br 2

Fan, Xiaofeng, Liu, Lei, Kuo, Jer-Lai, Shen, Zexiang

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.45 MB

english, 2010

5

Density and Phonon-Stiffness Anomalies of Water and Ice in the Full Temperature Range

Sun, Chang Q., Zhang, Xi, Fu, Xiaojian, Zheng, Weitao, Kuo, Jer-lai, Zhou, Yichun, Shen, Zexiang, Zhou, Ji

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

6

Direct enumeration of wurtzite BC2N configurations for structural stability and hardness evaluation

Wu, H.Y., Fan, X.F., Kuo, Jer-Lai

Journal:

Diamond and Related Materials

Year:

2010

Language:

english

File:

PDF, 657 KB

english, 2010

7

On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice

Kuo, Jer-Lai, Coe, James V., Singer, Sherwin J., Band, Yehuda B., Ojamäe, Lars

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 494 KB

english, 2001

8

Multiscale Approach to Explore the Potential Energy Surface of Water Clusters (H 2 O) n n ≤ 8

Nguyen, Quoc Chinh, Ong, Yew Soon, Soh, Harold, Kuo, Jer-Lai

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 300 KB

english, 2008

9

Collision-Induced Dissociation of Sodiated Glucose, Galactose, Mannose, and the Identification of Anomeric Configuration

Huynh, Hai Thi, Phan, Huu Trong, Hsu, Po-Jen, Chen, Jien-Lian, Nguan, Hock-Seng, Tsai, Shang-Ting, Roongcharoen, Thanthip, Liew, Chia Yen, Ni, Chi-Kung, Kuo, Jer-Lai

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.82 MB

english, 2018

10

Predicting the hydrogen bond ordered structures of ice Ih, II, III, VI and ice VII: DFT methods with localized based set

Xiaofeng Fan, Dan Bing, Jingyun Zhang, Zexiang Shen, Jer-Lai Kuo

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 1.29 MB

english, 2010

11

The effect of proton disorder on the structure of ice-Ih: A theoretical study

Kuo, Jer-Lai, Klein, Michael L., Kuhs, Werner F.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 601 KB

english, 2005

12

Structural stability of single-layer MoS 2 under large strain

Fan, Xiaofeng, Zheng, W T, Kuo, Jer-Lai, Singh, David J

Journal:

Journal of Physics Condensed Matter

Year:

2015

Language:

english

File:

PDF, 904 KB

english, 2015

13

Short H-bonds and spontaneous self-dissociation in (H[sub 2]O)[sub 20]: Effects of H-bond topology

Kuo, Jer-Lai, Ciobanu, Cristian V., Ojamäe, Lars, Shavitt, Isaiah, Singer, Sherwin J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 681 KB

english, 2003

14

[IEEE 2011 Ieee Workshop On Memetic Computing - Part Of 17273 - 2011 Ssci - Paris, France (2011.04.11-2011.04.15)] 2011 IEEE Workshop on Memetic Computing (MC) - Memetic figure selection for cluster expansion in binary alloy systems

Zhu, Zexuan, Ji, Zhen, Fan, Xiaofeng, Kuo, Jer-Lai

Year:

2011

Language:

english

File:

PDF, 475 KB

english, 2011

15

Adsorption and Diffusion of Li on Pristine and Defective Graphene

Fan, Xiaofeng, Zheng, W.T., Kuo, Jer-Lai

Journal:

ACS Applied Materials & Interfaces

Year:

2012

Language:

english

File:

PDF, 2.93 MB

english, 2012

16

Interaction between graphene and the surface of SiO 2

Fan, X F, Zheng, W T, Chihaia, Viorel, Shen, Z X, Kuo, Jer-Lai

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 1.61 MB

english, 2012

17

Proton location in (CH3)3N-H+-(CH3OH)n: A theoretical and infrared spectroscopic study

Bing, Dan, Hamashima, Toru, Tsai, Chen-Wei, Fujii, Asuka, Kuo, Jer-Lai

Journal:

Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

18

Probing Hydrophilic Interface of Solid/Liquid-Water by Nanoultrasonics

Mante, Pierre-Adrien, Chen, Chien-Cheng, Wen, Yu-Chieh, Chen, Hui-Yuan, Yang, Szu-Chi, Huang, Yu-Ru, -Ju Chen, I., Chen, Yun-Wen, Gusev, Vitalyi, Chen, Miin-Jang, Kuo, Jer-Lai, Sheu, Jinn-Kong, Sun, C

Journal:

Scientific Reports

Year:

2014

Language:

english

File:

PDF, 541 KB

english, 2014

19

Temperature dependent structural variations of OH − (H 2 O) n , n = 4–7: effects on vibrational and photoelectron spectra

Lin, Ren-Jie, Nguyen, Quoc Chinh, Ong, Yew-Soon, Takahashi, Kaito, Kuo, Jer-Lai

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

20

Infrared spectra and anharmonic coupling of proton-bound nitrogen dimers N 2 –H + –N 2 , N 2 –D + –N 2 , and 15 N 2 –H + – 15 N 2 in solid para-hydrogen

Liao, Hsin-Yi, Tsuge, Masashi, Tan, Jake A., Kuo, Jer-Lai, Lee, Yuan-Pern

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.71 MB

english, 2017

21

Pressure-Induced Phase Transition in Weyl Semimetallic WTe 2

Xia, Juan, Li, Dong-Fei, Zhou, Jia-Dong, Yu, Peng, Lin, Jun-Hao, Kuo, Jer-Lai, Li, Hai-Bo, Liu, Zheng, Yan, Jia-Xu, Shen, Ze-Xiang

Journal:

Year:

2017

Language:

english

File:

PDF, 1.57 MB

english, 2017

22

Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules

Chang, Chung-Huai, Fan, Xiaofeng, Li, Lain-Jong, Kuo, Jer-Lai

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.34 MB

english, 2012

23

Proton Switch Correlated with the Morphological Development of the Hydrogen-Bond Network in H + (MeOH) m (H 2 O) 1 ( m = 1−9): A Theoretical and Infrared Spectroscopic Study

Bing, Dan, Kuo, Jer-Lai, Suhara, Ken-ichiro, Fujii, Asuka, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 2.65 MB

english, 2009

24

Structures of hydrogen bond networks formed by a few tens of methanol molecules in the gas phase: size-selective infrared spectroscopy of neutral and protonated methanol clusters

Kobayashi, Tomohiro, Shishido, Ryunosuke, Mizuse, Kenta, Fujii, Asuka, Kuo, Jer-Lai

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.93 MB

english, 2013

25

Nuclear quantum effects on the structure and energetics of (H2O)6H+

MellaPresent address: School of Che, Massimo, Kuo, Jer-Lai, Clary, David C., Klein, Michael L.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 794 KB

english, 2005

26

[IEEE 2009 IEEE International Symposium on Computational Intelligence in Robotics and Automation - (CIRA 2009) - Daejeon, Korea (South) (2009.12.15-2009.12.18)] 2009 IEEE International Symposium on Computational Intelligence in Robotics and Automation - (CIRA) - Finding multiple first order saddle points using a valley adaptive clearing genetic algorithm

Ellabaan, Mostafa M. H., Ong, Yew Soon, Lim, Meng Hiot, Jer-Lai, Kuo

Year:

2009

Language:

english

File:

PDF, 578 KB

english, 2009

27

EVOLUTIONARY DISCOVERY OF TRANSITION STATES IN WATER CLUSTERS

ELLABAAN, MOSTAFA M. H., ONG, YEW SOON, NGUYEN, Q. C., KUO, JER-LAI

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1008 KB

english, 2012

28

Hydrogen-bonded ring closing and opening of protonated methanol clusters H + (CH 3 OH) n (n = 4–8) with the inert gas tagging

Li, Ying-Cheng, Hamashima, Toru, Yamazaki, Ryoko, Kobayashi, Tomohiro, Suzuki, Yuta, Mizuse, Kenta, Fujii, Asuka, Kuo, Jer-Lai

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.56 MB

english, 2015

29

The Unexpected Dissociation Mechanism of Sodiated N-Acetylglucosamine and N-Acetylgalactosamine

Chiu, Cheng-Chau, Tsai, Shang-Ting, Hsu, Po-Jen, Huynh, HaiThi, Chen, Jien-Lian, Phan, HuuTrong, Huang, Shih-Pei, Lin, Hou-Yu, Kuo, Jer-Lai, Ni, Chi-Kung

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 1.80 MB

english, 2019

30

Discovering Unique, Low-Energy Pure Water Isomers: Memetic Exploration, Optimization, and Landscape Analysis

Soh, H., Yew-Soon Ong, Quoc Chinh Nguyen, Quang Huy Nguyen, Habibullah, M.S., Hung, T., Jer-Lai Kuo

Journal:

IEEE Transactions on Evolutionary Computation

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

31

A first-principle analysis on the phase stabilities, chemical bonds and band gaps of wurtzite structure A x Zn 1− x O alloys (A = Ca, Cd, Mg)

Fan, X F, Sun, H D, Shen, Z X, Kuo, Jer-Lai, Lu, Y M

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

32

Dissociation of hydrogen fluoride in HF(H[sub 2]O)[sub 7]

Kuo, Jer-Lai, Klein, Michael L.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 654 KB

english, 2004

33

Protonated clathrate cages enclosing neutral water molecules: H[sup +](H[sub 2]O)[sub 21] and H[sup +](H[sub 2]O)[sub 28]

Wu, Chih-Che, Lin, Chih-Kai, Chang, Huan-Cheng, Jiang, Jyh-Chiang, Kuo, Jer-Lai, Klein, Michael L.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 542 KB

english, 2005

34

Metallic VS 2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching

Putungan, Darwin Barayang, Lin, Shi-Hsin, Kuo, Jer-Lai

Journal:

ACS Applied Materials & Interfaces

Year:

2016

Language:

english

File:

PDF, 4.45 MB

english, 2016

35

Unveiling the Crystallographic Facet Dependence of the Photoelectrochemical Glycerol Oxidation on Bismuth Vanadate

Vo, Truong-Giang, Kao, Chi-Chang, Kuo, Jer-Lai, Chiu, Cheng-chau, Chiang, Chia-Ying

Journal:

Applied Catalysis B: Environmental

Year:

2020

File:

PDF, 3.90 MB

2020

36

The natural valence band offset of dilute GaAs1−xNx and GaAs: The first-principles approach

Qiang Xu, Weijun Fan, Jer-Lai Kuo

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 183 KB

english, 2010

37

Theoretical Analyses of the Morphological Development of the Hydrogen Bond Network in Protonated Methanol Clusters †

Kuo, Jer-Lai, Fujii, Asuka, Mikami, Naohiko

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 478 KB

english, 2007

38

Modulation of electronic properties from stacking orders and spin-orbit coupling for 3R-type MoS2

Fan, Xiaofeng, Zheng, W. T., Kuo, Jer-Lai, Singh, David J., Sun, C.Q., Zhu, W.

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

39

High-Pressure-Induced Comminution and Recrystallization of CH 3 NH 3 PbBr 3 Nanocrystals as Large Thin Nanoplates

Yin, Tingting, Fang, Yanan, Chong, Wee Kiang, Ming, Koh Teck, Jiang, Shaojie, Li, Xianglin, Kuo, Jer-Lai, Fang, Jiye, Sum, Tze Chien, White, Timothy J., Yan, Jiaxu, Shen, Ze Xiang

Journal:

Advanced Materials

Year:

2017

Language:

english

File:

PDF, 2.67 MB

english, 2017

40

IR-VUV spectroscopy of pyridine dimer, trimer and pyridine-ammonia complexes in a supersonic jet

Feng, Jun-Ying, Lee, Yuan-Pern, Zhu, Chaoyuan, Hsu, Po-Jen, Kuo, Jer-Lai, Ebata, Takayuki

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.09 MB

2020

41

Infrared photodissociation spectroscopy and density-functional calculations of protonated methanol cluster ions: Solvation structures of an excess proton

Tono, Kensuke, Kuo, Jer-Lai, Tada, Masanori, Fukazawa, Koudai, Fukushima, Naoya, Kasai, Chiharu, Tsukiyama, Koichi

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.24 MB

english, 2008

42

A theoretical study on the infrared signatures of proton-bound rare gas dimers (Rg–H + –Rg), Rg = {Ne, Ar, Kr, and Xe}

Tan, Jake A., Kuo, Jer-Lai

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.91 MB

2019

43

Effects of Mixing between Short-chain and Branched-chain Alcohols in Protonated Clusters

Hsu, Po-Jen, Shinkai, Takahiro, Tai, Pei-Han, Fujii, Asuka, Kuo, Jer-Lai

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 3.65 MB

2020

44

The electronic structures and magnetic properties of mixed-valence Fe-based metalâorganic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations

Dang, Diem Thi-Xuan, Dong, Hieu Cao, Kawazoe, Yoshiyuki, Kuo, Jer-Lai, Nguyen-Manh, Duc

Journal:

Year:

2020

File:

PDF, 1.12 MB

2020

45

Composition-temperature phase diagram of BexZn1−xO from first principles

Chee Kwan Gan, Xiao Feng Fan, Jer-Lai Kuo

Journal:

Computational Materials Science

Year:

2010

Language:

english

File:

PDF, 256 KB

english, 2010

46

A direct first principles study on the structure and electronic properties of BexZn1-xO

Fan, X. F., Zhu, Zexuan, Ong, Yew-Soon, Lu, Y. M., Shen, Z. X., Kuo, Jer-Lai

Journal:

Applied Physics Letters

Year:

2007

Language:

english

File:

PDF, 585 KB

english, 2007

47

A High-Pressure Study of the Effects of TiO 2 Nanoparticles on the Structural Organization of Ionic Liquids

Chang, Hai-Chou, Chang, Shu-Chieh, Hung, Tzu-Chieh, Jiang, Jyh-Chiang, Kuo, Jer-Lai, Lin, Sheng Hsien

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

48

The low-temperature proton-ordered phases of ice predicted by ab initio methods

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 735 KB

english, 2005

49

Discriminative generation and hydrogen modulation of the Dirac-Fermi polarons at graphene edges and atomic vacancies

Xi Zhang, Yanguang Nie, Weitao Zheng, Jer-lai Kuo, Chang Q. Sun

Journal:

Year:

2011

Language:

english

File:

PDF, 1.08 MB

english, 2011

50

Density Functional Study of the First Wetting Layer on the GaN (0001) Surface

Chen, Yun-Wen, Kuo, Jer-Lai

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.89 MB

english, 2013

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