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1
Computer simulation in materials science interatomic potentials, simulation techniques, and applications
Computer simulation in materials science interatomic potentials, simulation techniques, and applications
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Libro 		Añadir a Mi Portal

Computer simulation in materials science interatomic potentials, simulation techniques, and applications

Madeleine Meyer ; NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications (1991 Aussois, France) Madeleine Meyer; Vassilis Pontikis; North Atlantic Treaty Organization Scientific Affairs Division

Dordrecht Kluwer Academic Publishers Boston c1991

Disponible en FFCLRP - Fac. Fil. Ciên. Let. de R. Preto    (681.3 M615c )(Obténgalo)

2
Unraveling the Catalytic Activity of Fe–Based Compounds toward Li2Sx in Li–S Chemical System from d–p Bands
Unraveling the Catalytic Activity of Fe–Based Compounds toward Li2Sx in Li–S Chemical System from d–p Bands
Material Type:
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Unraveling the Catalytic Activity of Fe–Based Compounds toward Li2Sx in Li–S Chemical System from d–p Bands

Shen, Jiadong ; Xu, Xijun ; Liu, Jun ; Wang, Zuosen ; Zuo, Shiyong ; Liu, Zhengbo ; Zhang, Dechao ; Liu, Jiangwen ; Zhu, Min

Advanced energy materials, 2021-07, Vol.11 (26), p.n/a [Revista revisada por pares]

Weinheim: Wiley Subscription Services, Inc

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3
Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems
Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems
Material Type:
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Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems

Zheng, Qijing ; Chu, Weibin ; Zhao, Chuanyu ; Zhang, Lili ; Guo, Hongli ; Wang, Yanan ; Jiang, Xiang ; Zhao, Jin

Wiley interdisciplinary reviews. Computational molecular science, 2019-11, Vol.9 (6), p.e1411-n/a [Revista revisada por pares]

Hoboken, USA: Wiley Periodicals, Inc

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4
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes
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Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes

Borodin, Oleg ; Suo, Liumin ; Gobet, Mallory ; Ren, Xiaoming ; Wang, Fei ; Faraone, Antonio ; Peng, Jing ; Olguin, Marco ; Schroeder, Marshall ; Ding, Michael S ; Gobrogge, Eric ; von Wald Cresce, Arthur ; Munoz, Stephen ; Dura, Joseph A ; Greenbaum, Steve ; Wang, Chunsheng ; Xu, Kang

ACS nano, 2017-10, Vol.11 (10), p.10462-10471 [Revista revisada por pares]

United States: American Chemical Society

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5
UItra-low friction and edge-pinning effect in large-lattice-mismatch van der Waals heterostructures
UItra-low friction and edge-pinning effect in large-lattice-mismatch van der Waals heterostructures
Material Type:
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UItra-low friction and edge-pinning effect in large-lattice-mismatch van der Waals heterostructures

Liao, Mengzhou ; Nicolini, Paolo ; Du, Luojun ; Yuan, Jiahao ; Wang, Shuopei ; Yu, Hua ; Tang, Jian ; Cheng, Peng ; Watanabe, Kenji ; Taniguchi, Takashi ; Gu, Lin ; Claerbout, Victor E P ; Silva, Andrea ; Kramer, Denis ; Polcar, Tomas ; Yang, Rong ; Shi, Dongxia ; Zhang, Guangyu

Nature materials, 2022-01, Vol.21 (1), p.47-53 [Revista revisada por pares]

England: Nature Publishing Group

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6
Unraveling disadhesion mechanism of epoxy/CSH interface under aggressive conditions
Unraveling disadhesion mechanism of epoxy/CSH interface under aggressive conditions
Material Type:
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Unraveling disadhesion mechanism of epoxy/CSH interface under aggressive conditions

Hou, Dongshuai ; Yang, Qingrui ; Wang, Pan ; Jin, Zuquan ; Wang, Muhan ; Zhang, Yue ; Wang, Xinpeng

Cement and concrete research, 2021-08, Vol.146, p.106489, Article 106489 [Revista revisada por pares]

Elmsford: Elsevier Ltd

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7
Rational Design of DNA Hydrogels Based on Molecular Dynamics of Polymers
Rational Design of DNA Hydrogels Based on Molecular Dynamics of Polymers
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Rational Design of DNA Hydrogels Based on Molecular Dynamics of Polymers

Li, Yujie ; Chen, Ruofan ; Zhou, Bini ; Dong, Yuanchen ; Liu, Dongsheng

Advanced materials (Weinheim), 2024-02, Vol.36 (7), p.e2307129-n/a [Revista revisada por pares]

Germany: Wiley Subscription Services, Inc

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8
Toward the Prediction and Control of Glass Transition Temperature for Donor–Acceptor Polymers
Toward the Prediction and Control of Glass Transition Temperature for Donor–Acceptor Polymers
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Toward the Prediction and Control of Glass Transition Temperature for Donor–Acceptor Polymers

Zhang, Song ; Alesadi, Amirhadi ; Selivanova, Mariia ; Cao, Zhiqiang ; Qian, Zhiyuan ; Luo, Shaochuan ; Galuska, Luke ; Teh, Catherine ; Ocheje, Michael U. ; Mason, Gage T. ; St. Onge, P. Blake J. ; Zhou, Dongshan ; Rondeau‐Gagné, Simon ; Xia, Wenjie ; Gu, Xiaodan

Advanced functional materials, 2020-07, Vol.30 (27), p.n/a [Revista revisada por pares]

Hoboken: Wiley Subscription Services, Inc

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9
Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface
Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface
Material Type:
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Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface

Belghiti, M.E. ; Echihi, S. ; Dafali, A. ; Karzazi, Y. ; Bakasse, M. ; Elalaoui-Elabdallaoui, H. ; Olasunkanmi, L.O. ; Ebenso, E.E. ; Tabyaoui, M.

Applied surface science, 2019-10, Vol.491, p.707-722 [Revista revisada por pares]

Elsevier B.V

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10
DNA origami protection and molecular interfacing through engineered sequence-defined peptoids
DNA origami protection and molecular interfacing through engineered sequence-defined peptoids
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DNA origami protection and molecular interfacing through engineered sequence-defined peptoids

Wang, Shih-Ting ; Gray, Melissa A. ; Xuan, Sunting ; Lin, Yiyang ; Byrnes, James ; Nguyen, Andy I. ; Todorova, Nevena ; Stevens, Molly M. ; Bertozzi, Carolyn R. ; Zuckermann, Ronald N. ; Gang, Oleg

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (12), p.6339-6348 [Revista revisada por pares]

United States: National Academy of Sciences

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