Kapasitas dan Energi Adsorpsi Humin Terhadap Eosin by Anshar A.M., Santosa S. J., Sudiono S.

Subjects: “…Adsorption Energy…”
Get full text

Data of interaction of supported ionic liquids phases onto copper nanoparticles: A density functional theory study by Kerry Wrighton-Araneda, Cristián Valdebenito, Gabriel Abarca, Diego Cortés-Arriagada

Subjects: Get full text

Theory study of H2O adsorbed TiO2 (110) surface: structural and electronic properties by Zhong Siying, Wu Shaoyi, Chen Xiaohong, Xu Kailai

Subjects: Get full text

Optimization of Hydrogen Storage Capacity by Physical Adsorption on Open-ended Single-walled Carbon Nanotube as Diameter Function by Nasruddin, Engkos A. Kosasih, Budhi Kurniawan, Supriyadi, I.A. Zulkarnain

Subjects: “…Adsorption energy, Hydrogen, Isotropic, Monolayer coverage, SWCNT…”
Get full text

Drug-Molecule Adsorption onto Silicon-Doped Fullerene: A Density Functional Theory Study by Yosephine Novita Apriati, Bambang Kristiawan, Nikmatul Jannah, Ari Dwi Nugraheni, Sholihun Sholihun

Subjects: Get full text

Amphipathic Phenylalanine-Induced Nucleophilic–Hydrophobic Interface Toward Highly Reversible Zn Anode by Anbin Zhou, Huirong Wang, Fengling Zhang, Xin Hu, Zhihang Song, Yi Chen, Yongxin Huang, Yanhua Cui, Yixiu Cui, Li Li, Feng Wu, Renjie Chen

Subjects: Get full text

An Insight into the Efficient Dimethoate Adsorption on Graphene-Based Materials—A Combined Experimental and DFT Study by Vladan J. Anićijević, Tamara D. Lazarević-Pašti, Vesna M. Vasić, Dragana D. Vasić Anićijević

Subjects: Get full text

Utility of (MgO)12 nanocage as a chemical sensor for recognition of amphetamine drug: A computational inspection by Chou-Yi Hsu, Abdullah Hasan Jabbar, A.H. Shather, Ameer S. Alkhayyat, Ali Alsalamy, Atheer Khdyair Hamad, Nahed Mahmood Ahmed, Zaid H Mahmoud, Zainab Talib Abed

Subjects: Get full text

The Effect of Sr composition on the microstructure and mechanical properties of Al-Si-Zn filler for the brazing of AA6061 by Guangyu Wang, Rui Ma, Mingpan Wan, Fei Zhao

Subjects: Get full text

Theoretical Study of Ability of Boron Nitride Nanocone to Oxidation of Sulfur Monoxide by Xuewu Zuo, Kourosh Behradfar, Jia-Bao Liu, Milad Janghorban Lariche, Meysam Najafi

Subjects: Get full text

The Molecular Design of a Macrocycle Descaling Agent Based on Azacrown and the Mechanism of Barium Sulfate Scale Removal by Da Wu, Dexin Liu, Minghua Shi, Jiaqiang Wang, Han Zhao, Yeliang Dong

Subjects: Get full text

Identifying the Association between Surface Heterogeneity and Electrochemical Properties in Graphite by Jaewon Kim, Alan Jiwan Yun, Kyeu Yoon Sheem, Byungwoo Park

Subjects: “…adsorption-energy distribution…”
Get full text

Promoting sensitivity and selectivity of NO2 gas sensor based on (P,N)-doped single-layer WSe2: A first principles study by Kang Duan, Wei Li, Chen Zhu, Jinze Li, Jie Xu, Xiangfu Wang

Subjects: Get full text

Investigation of the site-specific binding interactions and sensitivity of ochratoxin with aluminum nitride (Al12N12) nanoclusters. An intuition from Quantum Chemical Calculations by Ernest C. Agwamba, Hitler Louis, Innocent Benjamin, Ernest E. Ekereke, Gideon E. Mathias, Eze F. Ahuekwe, Adedapo S. Adeyinka

Subjects: Get full text

A Universal Mathematical Methodology in Characterization of Materials for Tailored Design of Porous Surfaces by Muhammad Burhan, Faheem Hassan Akhtar, Qian Chen, Muhammad Wakil Shahzad, Doskhan Ybyraiymkul, Kim Choon Ng

Subjects: Get full text

Density Functional Theory-Based Indicators to Estimate the Corrosion Potentials of Zinc Alloys in Chlorine-, Oxidizing-, and Sulfur-Harsh Environments by Azamat Mukhametov, Insaf Samikov, Elena A. Korznikova, Andrey A. Kistanov

Subjects: Get full text

Density Functional Theory Study Of The Interaction Of Hydroxyl Groups With Iron Surface by Nunomura N., Sunada S.

Subjects: Get full text

An Adsorption Equilibria Model for Steady State Analysis by Azhar Bin Ismail, Karan M. Sabnani, Li Ang, Kim Choon Ng

Subjects: “…Adsorption, Energy distribution function, Statistical rate theory, Universal isotherm model…”
Get full text

Theoretical insights into gas sensing properties of MXene by Julaiba Tahsina Mazumder, Ravindra Kumar Jha

Subjects: Get full text

Revealing the correlation between adsorption energy and activation energy to predict the catalytic activity of metal oxides for HMX using DFT by Xiurong Yang, Chi Zhang, Wujing Jin, Zhaoqi Guo, Hongxu Gao, Shiyao Niu, Fengqi Zhao, Bo Liu, Haixia Ma

Subjects: Get full text