theoretical characterization Latest Research Papers

ThAu2-, ThAu2O- and ThAuOH- anions: Photoelectron Spectroscopic and Theoretical Characterization

The Journal of Chemical Physics ◽

10.1063/5.0079795 ◽

2022 ◽

Author(s):

Zhaoguo Zhu ◽

Mary Marshall ◽

Kit H. Bowen ◽

Kirk A. Peterson

Keyword(s):

Theoretical Characterization

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Complete experimental and theoretical characterization of nonlinear concentration gradient generator microfluidic device for analytical purposes

Microchimica Acta ◽

10.1007/s00604-021-05110-7 ◽

2021 ◽

Vol 189 (1) ◽

Author(s):

Paulo Henrique Maciel Buzzetti ◽

Maiara Mitiko Taniguchi ◽

Nayara de Souza Mendes ◽

Renata Corrêa Vicentino ◽

Jean Halison de Oliveira ◽

...

Keyword(s):

Microfluidic Device ◽

Concentration Gradient ◽

Gradient Generator ◽

Theoretical Characterization

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Newly Synthesized Three-Dimensional Boron-Rich Chalcogenides B12X (X = S and Se): Theoretical Characterization of the Physical Properties for Optoelectronic and Mechanical Applications

ACS Omega ◽

10.1021/acsomega.1c05172 ◽

2021 ◽

Author(s):

Md. Mukter Hossain ◽

Md. Ashraf Ali ◽

Md. Mohi Uddin ◽

Saleh Hasan Naqib ◽

A. K. M. Azharul Islam

Keyword(s):

Physical Properties ◽

Three Dimensional ◽

Theoretical Characterization

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Synthesis, growth, experimental, and theoretical characterization of 6-amino-1H-pyrimidine-2,4-dione dimethylacetamide single crystal

Chinese Journal of Physics ◽

10.1016/j.cjph.2021.10.037 ◽

2021 ◽

Author(s):

S. Mugeshini ◽

R. Santhakumari ◽

N. Rajeshwari ◽

G. Amudha ◽

D. Chandrika ◽

...

Keyword(s):

Single Crystal ◽

Theoretical Characterization

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of a new triazoloquinoxaline derivative by azide-alkyne click chemistry: Experimental and Theoretical Characterization

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.132132 ◽

2021 ◽

pp. 132132

Author(s):

Mohcine Missioui ◽

Hassane Lgaz ◽

Walid Guerrab ◽

Han-seung Lee ◽

Ismail Warad ◽

...

Keyword(s):

Click Chemistry ◽

Theoretical Characterization

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Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations

Journal of Materials Research ◽

10.1557/s43578-021-00437-6 ◽

2021 ◽

Author(s):

Emmanouil Kioupakis ◽

Sieun Chae ◽

Kyle Bushick ◽

Nick Pant ◽

Xiao Zhang ◽

...

Keyword(s):

Band Gap ◽

Wide Band ◽

Ultra Wide Band ◽

Wide Band Gap ◽

Atomistic Calculations ◽

Wide Band Gap Semiconductors ◽

Theoretical Characterization ◽

Computational Discovery

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Pseudofields in Type I and Type II Weyl Semimetals: A Theoretical Characterization of Fermi Arcs

10.26226/morressier.616e5c2362ba8657678b122f ◽

2021 ◽

Author(s):

Cesar Antonio Doñez Miranda ◽

Jose Eduardo Barrios Vargas

Keyword(s):

Type I ◽

Type Ii ◽

Fermi Arcs ◽

Weyl Semimetals ◽

Theoretical Characterization

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Intramolecular N–H…F Hydrogen Bonding Interaction in a Series of 4‐Anilino‐5‐Fluoroquinazolines: Experimental and Theoretical Characterization of Electronic and Conformational Effects

Chemistry - A European Journal ◽

10.1002/chem.202103135 ◽

2021 ◽

Author(s):

K. N. Houk ◽

Lorenz M. Urner ◽

Ga Young Lee ◽

Saeed I. Khan ◽

Michael Ernest Jung ◽

...

Keyword(s):

Hydrogen Bonding ◽

Hydrogen Bonding Interaction ◽

Conformational Effects ◽

Bonding Interaction ◽

Theoretical Characterization

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Four and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131783 ◽

2021 ◽

pp. 131783

Author(s):

Büşra Kaya ◽

Tuncay Karakurt ◽

Onur Şahin ◽

Bahri ÜLKÜSEVEN

Keyword(s):

Cobalt Complexes ◽

Theoretical Characterization

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Synthesis, electrochemical and theoretical characterization of schiff base as an anticorrosive molecule for mild steel in 0.5 M H2SO4 medium

Chemical Papers ◽

10.1007/s11696-021-01819-0 ◽

2021 ◽

Author(s):

Anita Kumari ◽

Raj Kishore Sharma ◽

Gurmeet Kaur ◽

Suman Lata ◽

Gurmeet Singh

Keyword(s):

Schiff Base ◽

Mild Steel ◽

Theoretical Characterization

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theoretical characterization
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

ThAu2-, ThAu2O- and ThAuOH- anions: Photoelectron Spectroscopic and Theoretical Characterization

Complete experimental and theoretical characterization of nonlinear concentration gradient generator microfluidic device for analytical purposes

Newly Synthesized Three-Dimensional Boron-Rich Chalcogenides B12X (X = S and Se): Theoretical Characterization of the Physical Properties for Optoelectronic and Mechanical Applications

Synthesis, growth, experimental, and theoretical characterization of 6-amino-1H-pyrimidine-2,4-dione dimethylacetamide single crystal

of a new triazoloquinoxaline derivative by azide-alkyne click chemistry: Experimental and Theoretical Characterization

Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations

Pseudofields in Type I and Type II Weyl Semimetals: A Theoretical Characterization of Fermi Arcs

Intramolecular N–H…F Hydrogen Bonding Interaction in a Series of 4‐Anilino‐5‐Fluoroquinazolines: Experimental and Theoretical Characterization of Electronic and Conformational Effects

Four and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization

Synthesis, electrochemical and theoretical characterization of schiff base as an anticorrosive molecule for mild steel in 0.5 M H2SO4 medium

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theoretical characterizationRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

ThAu2-, ThAu2O- and ThAuOH- anions: Photoelectron Spectroscopic and Theoretical Characterization

Complete experimental and theoretical characterization of nonlinear concentration gradient generator microfluidic device for analytical purposes

Newly Synthesized Three-Dimensional Boron-Rich Chalcogenides B12X (X = S and Se): Theoretical Characterization of the Physical Properties for Optoelectronic and Mechanical Applications

Synthesis, growth, experimental, and theoretical characterization of 6-amino-1H-pyrimidine-2,4-dione dimethylacetamide single crystal

of a new triazoloquinoxaline derivative by azide-alkyne click chemistry: Experimental and Theoretical Characterization

Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations

Pseudofields in Type I and Type II Weyl Semimetals: A Theoretical Characterization of Fermi Arcs

Intramolecular N–H…F Hydrogen Bonding Interaction in a Series of 4‐Anilino‐5‐Fluoroquinazolines: Experimental and Theoretical Characterization of Electronic and Conformational Effects

Four and six-coordinated cobalt complexes based on thiosemicarbazone. Formation, experimental and theoretical characterization

Synthesis, electrochemical and theoretical characterization of schiff base as an anticorrosive molecule for mild steel in 0.5 M H2SO4 medium

theoretical characterization
Recently Published Documents