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Petko S. Petkov

Bulgaria

Research Interests

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Professors in Organic Chemistry

Articles (11)

Ab initio MD study in explicit 1,4-dioxane–H 2 O solvent reveals that Rh( i )/phbod complex of 2-cyclohexenone forms energetically favourable H-bonds with a small H 2 O cluster with or without H 3 BO 3 while H-bond with H 3 BO 3 alone is energetically disfavoured.

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2022

Collaborators (5)

Francesco Dalena

Group Leader

École Nationale Supérieure d'Ingénieurs de Caen et Centre de Recherche

FRANCE

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Xing Huang

Associate Professor

Shanghai Jiao Tong University

CHINA

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Shun-Qi Xu

Prof

Southeast University

CHINA

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Edwin Clatworthy

Chargé de recherche

CNRS

FRANCE

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Rositca D. Nikolova

BULGARIA

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Petko S. Petkov

Research Interests

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Articles (11)

Realistic modelling of hydrogen bonding of 2-cyclohexenone with H<sub>2</sub>O and H<sub>3</sub>BO<sub>3</sub> in the outer coordination sphere of a chiral diene/Rh(<scp>i</scp>) complex by <i>ab initio</i> molecular dynamics

Nature-Inspired Pyrylium Cation-Based Vinylene-Linked Two-Dimensional Covalent Organic Framework for Efficient Sunlight-Driven Water Purification

Near IR Bandgap Semiconducting 2D Conjugated Metal-Organic Framework with Rhombic Lattice and High Mobility

Realistic modelling of hydrogen bonding of 2-cyclohexenone with H2O and H3BO3 in the outer coordination sphere of a chiral diene/Rh(i) complex by ab initio molecular dynamics

Semiconducting Conjugated Coordination Polymer with High Charge Mobility Enabled by "4+2" Phenyl Ligands

Understanding MOF Flexibility: An Analysis Focused on Pillared Layer MOFs as a Model System

Visualizing the Flexibility of RHO Nanozeolite: Experiment and Modeling

Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin

Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin

Direct Construction of Isomeric Benzobisoxazole-Vinylene-Linked Covalent Organic Frameworks with Distinct Photocatalytic Properties

Sodium and Magnesium Ion Location at the Backbone and at the Nucleobase of RNA: Ab Initio Molecular Dynamics in Water Solution

Collaborators (5)

Francesco Dalena

Xing Huang

Shun-Qi Xu

Edwin Clatworthy

Rositca D. Nikolova

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