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PubPharm (90)
1
Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Domingo, L.
|
Ríos-Gutiérrez, M.
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2
A MEDT Study of the Mechanism and Selectivities of the non- Catalyzed and the Lewis Acid Catalyzed Diels-Alder Reaction between R-Carvone and Isoprene -Molecular Docking Analysis: Anti-HIV-1 Activity
enthalten in:
ResearchSquare.com
| 2024
von
Idrissi, K.
|
Abdoul-Hakim, M.
|
Saleh, N.
| +6
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3
A novel alpha-amylase inhibitor-based spirooxindole-pyrrolidine-clubbed thiochromene-pyrzaole pharmacophores : Unveiling the [3+2] cycloaddition reaction by molecular electron density theory
enthalten in:
Chemical biology & drug design
| 2023
von
Islam, M.
|
Al-Majid, A.
|
Haukka, M.
| +7
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4
Synthesis and Characterization of New Spirooxindoles Including Triazole and Benzimidazole Pharmacophores via [3+2] Cycloaddition Reaction : An MEDT Study of the Mechanism and Selectivity
enthalten in:
Molecules (Basel, Switzerland)
| 2023
von
Alshahrani, S.
|
Al-Majid, A.
|
Alamary, A.
| +5
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5
A Molecular Electron Density Theory Study of the Domino Reaction of N-Phenyl Iminoboranes with Benzaldehyde Yielding Fused Bicyclic Compounds
enthalten in:
Molecules (Basel, Switzerland)
| 2023
von
Domingo, L.
|
Aurell, M.
|
Ríos-Gutiérrez, M.
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6
A combined BET and IQA-REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions
enthalten in:
Physical chemistry chemical physics : PCCP
| 2023
von
Ríos-Gutiérrez, M.
|
Falcioni, F.
|
Domingo, L.
| +1
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7
A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate
enthalten in:
Chemistry of heterocyclic compounds
| 2023
von
Ameur, S.
|
Barhoumi, A.
|
Ríos-Gutiérrez, M.
| +7
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8
A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate
enthalten in:
Chemistry of heterocyclic compounds
| 2023
von
Ameur, S.
|
Barhoumi, A.
|
Ríos-Gutiérrez, M.
| +7
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9
A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate
enthalten in:
Chemistry of heterocyclic compounds
| 2023
von
Ameur, S.
|
Barhoumi, A.
|
Ríos-Gutiérrez, M.
| +7
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10
Electrophilicity and nucleophilicity scales at different DFT computational levels
enthalten in:
Journal of Physical Organic Chemistry
| 2023
von
Ríos‐Gutiérrez, M.
|
Saz Sousa, A.
|
Domingo, L.
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90
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Theoretical chemistry accounts
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Molecules (Basel, Switzerland)
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Polyhedron
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Thema
36
Journal Article
12
Chemistry
12
MEDT
11
Molecular electron density theory
10
DFT calculations
10
molecular electron density theory
7
Research Support, Non-U.S. Gov't
6
540
6
Regioselectivity
6
Theoretical and Computational Chemistry
6
chemoselectivity
5
Atomic/Molecular Structure and Spectra
5
Inorganic Chemistry
5
Organic Chemistry
5
Physical Chemistry
4
ELF
4
Indoles
4
Selectivity
3
Azomethine ylide
3
Bonding evolution theory
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Erscheinungszeitraum
38
2020-
52
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
79
Englisch
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