Simultaneous removal of anionic dyes onto Mg(Al)O mixed metal oxides from ternary aqueous mixture: Derivative spectrophotometry and Density Functional Theory study

Metal Oxides ◽

Density Functional ◽

Derivative Spectrophotometry ◽

Simultaneous Removal ◽

Mixed Metal Oxides ◽

Anionic Dyes ◽

Functional Theory ◽

Aqueous Mixture

Dissociative adsorption of 2,3,7,8-TCDD on the surfaces of typical metal oxides: a first-principles density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c3cp55048f ◽

2014 ◽

Vol 16 (12) ◽

pp. 5553 ◽

Cited By ~ 8

Author(s):

Shuo Zhao ◽

Xiaodong Ma ◽

Qin Pang ◽

Hongwen Sun ◽

Guichang Wang

Keyword(s):

Metal Oxides ◽

First Principles ◽

Density Functional ◽

Dissociative Adsorption ◽

Laser-assisted field evaporation of metal oxides: A time-dependent density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.4968213 ◽

2016 ◽

Vol 145 (20) ◽

pp. 204704 ◽

Cited By ~ 2

Keyword(s):

Metal Oxides ◽

Density Functional ◽

Time Dependent ◽

Field Evaporation ◽

Functional Theory ◽

Dependent Density

Mechanistic insights into the simultaneous removal of As(V) and Cr(VI) oxyanions by a novel hierarchical corolla-like MnO2-decorated porous magnetic biochar composite: A combined experimental and density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2021.151991 ◽

2021 ◽

pp. 151991

Author(s):

Keunsu Choi ◽

Seon Yong Lee ◽

Heegon Kim ◽

Ki Bong Lee ◽

Jae-Woo Choi ◽

...

Keyword(s):

Density Functional ◽

Simultaneous Removal ◽

Functional Theory ◽

Magnetic Biochar

Density functional theory study of CO2 capture with transition metal oxides and hydroxides

The Journal of Chemical Physics ◽

10.1063/1.3684901 ◽

2012 ◽

Vol 136 (6) ◽

pp. 064516 ◽

Cited By ~ 19

Author(s):

Bo Zhang ◽

Yuhua Duan ◽

Karl Johnson

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Co2 Capture ◽

Transition Metal Oxides ◽

Density Functional ◽

Effects of the adsorption of alkali metal oxides on the electronic, optical, and thermodynamic properties of the Mg12O12nanocage: a density functional theory study

Journal of Molecular Modeling ◽

10.1007/s00894-016-3044-7 ◽

2016 ◽

Vol 22 (8) ◽

Cited By ~ 8

Author(s):

Asghar Mohammadi Hesari ◽

Hamid Reza Shamlouei ◽

Ali Raoof Toosi

Keyword(s):

Thermodynamic Properties ◽

Alkali Metal ◽

Metal Oxides ◽

Density Functional ◽

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional ◽

Matrix Isolation ◽

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional ◽

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional ◽

Electronic Effect ◽

Functional Theory ◽

The Relationship

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Structural Stability ◽

Density Functional ◽

Ruthenium Nanoparticles ◽