Density Function Theory calculation, and phthalonitrile process for a synthesis of single crystal zinc phthalocyanine

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2020.105025 ◽

2020 ◽

Vol 113 ◽

pp. 105025 ◽

Author(s):

Nhu-Quynh Luc ◽

Vu-Son Dang ◽

Quang-Thinh Tran ◽

Van-Thong Pham ◽

Anh-Tuan Mai

Keyword(s):

Single Crystal ◽

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Zinc Phthalocyanine ◽

Theory Calculation

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Inhibitory effects of Portulaca oleracea L. and selected flavonoid ingredients on heterocyclic amines in roast beef patties and Density Function Theory calculation of binding between heterocyclic amines intermediates and flavonoids

Food Chemistry ◽

10.1016/j.foodchem.2020.127551 ◽

2021 ◽

Vol 336 ◽

pp. 127551

Author(s):

Jing Jing ◽

Yonghui He ◽

Yali Wang ◽

Maomao Zeng

Keyword(s):

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Portulaca Oleracea ◽

Heterocyclic Amines ◽

Inhibitory Effects ◽

Beef Patties ◽

Theory Calculation

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Rapid debromination of polybrominated diphenyl ethers (PBDEs) by zero valent metal and bimetals: Mechanisms and pathways assisted by density function theory calculation

Environmental Pollution ◽

10.1016/j.envpol.2018.05.014 ◽

2018 ◽

Vol 240 ◽

pp. 745-753 ◽

Author(s):

Rui Wang ◽

Ting Tang ◽

Guining Lu ◽

Kaibo Huang ◽

Hua Yin ◽

...

Keyword(s):

Density Function ◽

Polybrominated Diphenyl Ethers ◽

Function Theory ◽

Density Function Theory ◽

Diphenyl Ethers ◽

Theory Calculation

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Boosting charge transfer via molybdenum doping and electric-field effect in bismuth tungstate: Density function theory calculation and potential applications

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2018.09.012 ◽

2019 ◽

Vol 534 ◽

pp. 20-30 ◽

Author(s):

Yuan Bian ◽

Weixuan Zeng ◽

Meng He ◽

Yongjin Ma ◽

Yi Liu ◽

...

Keyword(s):

Charge Transfer ◽

Electric Field ◽

Density Function ◽

Field Effect ◽

Function Theory ◽

Density Function Theory ◽

Electric Field Effect ◽

Potential Applications ◽

Molybdenum Doping ◽

Theory Calculation

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Study on adsorption of O2 on LaFe1−xMgxO3 (010) surface by density function theory calculation

Applied Surface Science ◽

10.1016/j.apsusc.2012.05.073 ◽

2012 ◽

Vol 258 (22) ◽

pp. 8678-8682 ◽

Author(s):

Xing Liu ◽

Bin Cheng ◽

Jifan Hu ◽

Hongwei Qin

Keyword(s):

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Theory Calculation

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Adsorption and Reaction of CO on (100) Surface of SrTiO 3 by Density Function Theory Calculation

Chinese Physics Letters ◽

10.1088/0256-307x/25/9/072 ◽

2008 ◽

Vol 25 (9) ◽

pp. 3364-3367 ◽

Author(s):

Yun Jiang-Ni ◽

Zhang Zhi-Yong ◽

Zhang Fu-Chun

Keyword(s):

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Theory Calculation

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Growth, molecular structure and characterization of L-Isoleucinium hydrogen maleate hemihydrate (LIM) NLO single crystal by density function theory

Materials Today Proceedings ◽

10.1016/j.matpr.2020.07.462 ◽

2020 ◽

Author(s):

A. Hemalatha ◽

Aboothahir Afzal ◽

S. Muthu ◽

M. Raja ◽

S. Senthil

Keyword(s):

Molecular Structure ◽

Single Crystal ◽

Density Function ◽

Function Theory ◽

Density Function Theory

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Adsorption of CO, NH3 and O2 on Fe site of La0.875Sr0.125FeO3 (010) surface by density function theory calculation

Applied Surface Science ◽

10.1016/j.apsusc.2010.10.034 ◽

2011 ◽

Vol 257 (7) ◽

pp. 2633-2636 ◽

Author(s):

Lihui Sun ◽

Hongwei Qin ◽

Feng Gao ◽

Ensi Cao ◽

Kai Fan ◽

...

Keyword(s):

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Adsorption Of Co ◽

Theory Calculation

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Electronic structure and optical properties of Nb-doped Sr 2 TiO 4 by density function theory calculation

Chinese Physics B ◽

10.1088/1674-1056/18/7/055 ◽

2009 ◽

Vol 18 (7) ◽

pp. 2945-2952 ◽

Author(s):

Yun Jiang-Ni ◽

Zhang Zhi-Yong

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Density Function ◽

Function Theory ◽

Density Function Theory ◽

Theory Calculation

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Density function theory calculation of oxygen adsorption on Au(111) surface

Acta Physica Sinica ◽

10.7498/aps.55.3157 ◽

2006 ◽

Vol 55 (6) ◽

pp. 3157

Author(s):

Zeng Zhen-Hua ◽

Deng Hui-Qiu ◽

Li Wei-Xue ◽

Hu Wang-Yu

Keyword(s):

Density Function ◽

Function Theory ◽

Oxygen Adsorption ◽

Density Function Theory ◽

Theory Calculation

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Calculation study on complex formation of catechins with β-cyclodextrin using density function theory

Journal of Inclusion Phenomena and Macrocyclic Chemistry ◽

10.1007/s10847-021-01057-7 ◽

2021 ◽

Author(s):

Hirohito Ikeda ◽

Tomonori Ohata ◽

Miho Yukawa ◽

Hiroyuki Tsutsumi ◽

Masao Fujisawa ◽

...

Keyword(s):

Complex Formation ◽

Density Function ◽

Function Theory ◽

Density Function Theory

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