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Chemical Reactivity as Described by Quantum Chemical Methods
Chemical Reactivity as Described by Quantum Chemical Methods
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Chemical Reactivity as Described by Quantum Chemical Methods

Geerlings, P. ; De Proft, F.

International journal of molecular sciences, 2002-04, Vol.3 (4), p.276-309 [Periódico revisado por pares]

Basel: MDPI AG

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2
Use of Local Softness for the Interpretation of Reaction Mechanisms
Use of Local Softness for the Interpretation of Reaction Mechanisms
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Use of Local Softness for the Interpretation of Reaction Mechanisms

Chandra, Asit K. ; Nguyen, Minh Tho

International journal of molecular sciences, 2002-04, Vol.3 (4), p.310-323 [Periódico revisado por pares]

Basel: MDPI AG

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3
The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study
The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study
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The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

Chandra, Asit ; Uchimaru, Tadafumi

International journal of molecular sciences, 2002-04, Vol.3 (4), p.407-422 [Periódico revisado por pares]

Basel: MDPI AG

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4
Use of a New Cluster Ansatz to Treat Strong Relaxation and Correlation Effects: A Direct Method for Energy Differences
Use of a New Cluster Ansatz to Treat Strong Relaxation and Correlation Effects: A Direct Method for Energy Differences
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Use of a New Cluster Ansatz to Treat Strong Relaxation and Correlation Effects: A Direct Method for Energy Differences

Jana, Debasis ; Mahapatra, Uttam Sinha ; Mukherjee, Debashis

International journal of molecular sciences, 2002-05, Vol.3 (5), p.550-569 [Periódico revisado por pares]

Basel: MDPI AG

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5
State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results
State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results
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State Selective Equation of Motion Coupled Cluster Theory: Some Preliminary Results

Nooijen, Marcel

International journal of molecular sciences, 2002-06, Vol.3 (6), p.656-675 [Periódico revisado por pares]

Basel: MDPI AG

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6
Quantitative Structure–Property Relationships for Aryldiazonia
Quantitative Structure–Property Relationships for Aryldiazonia
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Quantitative Structure–Property Relationships for Aryldiazonia

Pankratov, Alexei N. ; Zhelezko, Oxana I.

International journal of molecular sciences, 2002-07, Vol.3 (7), p.822-855 [Periódico revisado por pares]

Basel: MDPI AG

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7
Among Synthetic, Supramolecular and Theoretical Chemistry Stabilization of Short-lived Species in “Molecular’ or ‘Supramolecular Flasks
Among Synthetic, Supramolecular and Theoretical Chemistry Stabilization of Short-lived Species in “Molecular’ or ‘Supramolecular Flasks
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Among Synthetic, Supramolecular and Theoretical Chemistry Stabilization of Short-lived Species in “Molecular’ or ‘Supramolecular Flasks

Dodziuk, Helena

International journal of molecular sciences, 2002-07, Vol.3 (7), p.814-821 [Periódico revisado por pares]

Basel: MDPI AG

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8
Effect of Organic Solvents and Biologically Relevant Ions on the Light-Induced DNA Cleavage by Pyrene and Its Amino and Hydroxy Derivatives
Effect of Organic Solvents and Biologically Relevant Ions on the Light-Induced DNA Cleavage by Pyrene and Its Amino and Hydroxy Derivatives
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Effect of Organic Solvents and Biologically Relevant Ions on the Light-Induced DNA Cleavage by Pyrene and Its Amino and Hydroxy Derivatives

Dong, Shiming ; Wang, Shuguang ; Stewart, Gernerique ; Hwang, Huey-Min ; Fu, Peter P. N. ; Yu, Hongtao

International journal of molecular sciences, 2002-09, Vol.3 (9), p.937-947 [Periódico revisado por pares]

Basel: MDPI AG

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9
Mercury Induces Cytotoxicity and Transcriptionally Activates Stress Genes in Human Liver Carcinoma (HepG2) Cells
Mercury Induces Cytotoxicity and Transcriptionally Activates Stress Genes in Human Liver Carcinoma (HepG2) Cells
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Mercury Induces Cytotoxicity and Transcriptionally Activates Stress Genes in Human Liver Carcinoma (HepG2) Cells

Sutton, Dwayne J. ; Tchounwou, Paul B. ; Ninashvili, Nanuli ; Shen, Elaine

International journal of molecular sciences, 2002-09, Vol.3 (9), p.965-984 [Periódico revisado por pares]

Basel: MDPI AG

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10
Effect of Turmerin on Endothelial Denudation by Air Drying
Effect of Turmerin on Endothelial Denudation by Air Drying
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Effect of Turmerin on Endothelial Denudation by Air Drying

Cohly, H. H. P. ; Hammet, C. ; Angel, M. F. ; Kanji, V. ; Taylor, A. ; Benghuzzi, H. ; Markov, A. K.

International journal of molecular sciences, 2002-09, Vol.3 (9), p.985-991 [Periódico revisado por pares]

Basel: MDPI AG

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