Affinity capillary electrophoresis and density functional theory study of noncovalent interactions of cyclic peptide [Gly6 ]-antamanide with small cations

Electrophoresis ◽

10.1002/elps.201700141 ◽

2017 ◽

Vol 38 (16) ◽

pp. 2025-2033 ◽

Author(s):

Sachin Pangavhane ◽

Stanislav Böhm ◽

Emanuel Makrlík ◽

Paolo Ruzza ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Cyclic Peptide ◽

Noncovalent Interactions ◽

Density Functional Theory Study ◽

Affinity Capillary Electrophoresis ◽

Functional Theory

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Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation

Journal of Chromatography A ◽

10.1016/j.chroma.2011.01.073 ◽

2011 ◽

Vol 1218 (30) ◽

pp. 4982-4987 ◽

Author(s):

Sille Ehala ◽

Petr Toman ◽

Emanuel Makrlík ◽

Rajendra Rathore ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Binding Constant ◽

Structure Elucidation ◽

Density Functional ◽

Ammonium Cation ◽

Receptor Complex ◽

Affinity Capillary Electrophoresis ◽

Functional Theory ◽

Constant Determination

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A dispersion‐corrected density functional theory study of the noncovalent interactions between nucleobases and carbon nanotube models containing stone–wales defects

Journal of Computational Chemistry ◽

10.1002/jcc.26127 ◽

2019 ◽

Vol 41 (8) ◽

pp. 780-789

Author(s):

Flavio F. Contreras‐Torres ◽

Elena V. Basiuk ◽

Vladimir A. Basiuk

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Noncovalent Interactions ◽

Density Functional Theory Study ◽

Functional Theory

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Crystallographic and first‐principles density functional theory study on the structure, noncovalent interactions, and chemical reactivity of 1,5‐benzodiazepin‐2‐ones derivatives

International Journal of Quantum Chemistry ◽

10.1002/qua.26000 ◽

2019 ◽

Vol 119 (21) ◽

Author(s):

Melek Hajji ◽

Hasan Mtiraoui ◽

Nesrine Amiri ◽

Moncef Msaddek ◽

Taha Guerfel

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Noncovalent Interactions ◽

Chemical Reactivity ◽

Density Functional Theory Study ◽

Functional Theory

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Application of affinity capillary electrophoresis and density functional theory to the investigation of benzo-18-crown-6-ether complex with ammonium cation

Journal of Chromatography A ◽

10.1016/j.chroma.2009.09.034 ◽

2009 ◽

Vol 1216 (45) ◽

pp. 7927-7931 ◽

Author(s):

Sille Ehala ◽

Petr Toman ◽

Emanuel Makrlík ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Density Functional ◽

Ammonium Cation ◽

Affinity Capillary Electrophoresis ◽

Functional Theory ◽

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Affinity capillary electrophoresis and density functional theory employed for the characterization of hexaarylbenzene-based receptor complexation with alkali metal ions

Electrophoresis ◽

10.1002/elps.201000568 ◽

2011 ◽

Vol 32 (9) ◽

pp. 981-987 ◽

Author(s):

Sille Ehala ◽

Petr Toman ◽

Rajendra Rathore ◽

Emanuel Makrlík ◽

Václav Kašička

Keyword(s):

Density Functional Theory ◽

Capillary Electrophoresis ◽

Alkali Metal ◽

Density Functional ◽

Alkali Metal Ions ◽

Affinity Capillary Electrophoresis ◽

Functional Theory

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

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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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 Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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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 Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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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):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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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 ◽

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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