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Thermochemical Research on Furfurylamine and 5-Methylfurfurylamine: Experimental and Computational Insights

Molecules (Basel, Switzerland), 2024-06, Vol.29 (12), p.2729

2024

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Experimental and Computational Study on the Thermochemistry of Bromoanilines

Bulletin of the Chemical Society of Japan, 2006-12, Vol.79 (12), p.1852-1859

2006

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Experimental and Computational Thermochemical Study of Sulfur-Containing Amino Acids: l-Cysteine, l-Cystine, and l-Cysteine-Derived Radicals. S−S, S−H, and C−S Bond Dissociation Enthalpies

The journal of physical chemistry. B, 2010-08, Vol.114 (32), p.10530-10540

2010

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Molecular Energetics of Alkyl Pyrrolecarboxylates: Calorimetric and Computational Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (24), p.5195-5204

2013

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Computational Thermochemistry of Six Ureas, Imidazolidin-2-one, N,N′-Trimethyleneurea, Benzimidazolinone, Parabanic Acid, Barbital (5,5′-Diethylbarbituric Acid), and 3,4,4′-Trichlorocarbanilide, with an Extension to Related Compounds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-09, Vol.114 (34), p.9237-9245

2010

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From 2‑Hydroxypyridine to 4(3H)‑Pyrimidinone: Computational Study on the Control of the Tautomeric Equilibrium

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-11, Vol.117 (47), p.12668-12674

2013

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Is Uracil Aromatic? The Enthalpies of Hydrogenation in the Gaseous and Crystalline Phases, and in Aqueous Solution, as Tools to Obtain an Answer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-07, Vol.117 (28), p.5826-5836

2013

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Experimental and Computational Study on the Molecular Energetics of Indoline and Indole

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (47), p.12263-12269

2008

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Thermodynamic and Conformational Study of Proline Stereoisomers

The journal of physical chemistry. B, 2014-08, Vol.118 (34), p.10130-10141

2014

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Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation

Journal of chemical and engineering data, 2013-06, Vol.58 (6), p.1813-1821

2013

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From 2,4-Dimethoxypyrimidine to 1,3-Dimethyluracil: Isomerization and Hydrogenation Enthalpies and Noncovalent Interactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (26), p.4816-4823

2014

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Thermodynamic Study of Chlorobenzonitrile Isomers: A Survey on the Polymorphism, Pseudosymmetry, and the Chloro···Cyano Interaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-02, Vol.118 (8), p.1502-1510

2014

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Computational Study on the Bond Dissociation Enthalpies in the Enolic and Ketonic Forms of β-Diketones: Their Influence on Metal−Ligand Bond Enthalpies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-12, Vol.110 (51), p.13948-13955

2006

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Experimental and Computational Thermochemical Study of α-Alanine (DL) and β-Alanine

The journal of physical chemistry. B, 2010-12, Vol.114 (49), p.16471-16480

2010

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Molecular Energetics of Cytosine Revisited: A Joint Computational and Experimental Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-08, Vol.111 (30), p.7237-7242

2007

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Experimental and Computational Studies on the Molecular Energetics of Chlorobenzophenones

The journal of physical chemistry. B, 2007-11, Vol.111 (45), p.13033-13040

2007

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Experimental and Computational Investigation of the Energetics of the Three Isomers of Monochloroaniline

The journal of physical chemistry. B, 2005-07, Vol.109 (27), p.13356-13362

2005

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Energetic Study Applied to the Knowledge of the Structural and Electronic Properties of Monofluorobenzonitriles

Journal of organic chemistry, 2012-05, Vol.77 (9), p.4312-4322

2012

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Combined Experimental and Computational Study of the Thermochemistry of Methylpiperidines

Journal of organic chemistry, 2006-05, Vol.71 (10), p.3677-3685

2006

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Diaminobenzenes: An Experimental and Computational Study

The journal of physical chemistry. B, 2011-05, Vol.115 (17), p.4939-4948

2011

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Experimental and Computational Study on the Molecular Energetics of 2-Pyrrolecarboxylic Acid and 1-Methyl-2-pyrrolecarboxylic Acid

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (35), p.9741-9750

2009

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A Combined Experimental and Computational Thermodynamic Study of the Isomers of Pyrrolecarboxaldehyde and 1-Methyl- pyrrolecarboxaldehyde

The journal of physical chemistry. B, 2011-11, Vol.115 (43), p.12549-12557

2011

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Comparative Computational and Experimental Study on the Thermochemistry of the Chloropyrimidines

The journal of physical chemistry. B, 2007-02, Vol.111 (4), p.792-799

2007

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Experimental and Computational Study of the Thermochemistry of the Fluoromethylaniline Isomers

The journal of physical chemistry. B, 2007-06, Vol.111 (23), p.6444-6451

2007

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Experimental and Computational Thermochemical Study of N-Benzylalanines

The journal of physical chemistry. B, 2011-08, Vol.115 (30), p.9401-9409

2011

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Thermochemical Research on Furfurylamine and 5-Methylfurfurylamine: Experimental and Computational Insights

Experimental and Computational Study on the Thermochemistry of Bromoanilines

Experimental and Computational Thermochemical Study of Sulfur-Containing Amino Acids: l-Cysteine, l-Cystine, and l-Cysteine-Derived Radicals. S−S, S−H, and C−S Bond Dissociation Enthalpies

Molecular Energetics of Alkyl Pyrrolecarboxylates: Calorimetric and Computational Study

Computational Thermochemistry of Six Ureas, Imidazolidin-2-one, N,N′-Trimethyleneurea, Benzimidazolinone, Parabanic Acid, Barbital (5,5′-Diethylbarbituric Acid), and 3,4,4′-Trichlorocarbanilide, with an Extension to Related Compounds

From 2‑Hydroxypyridine to 4(3H)‑Pyrimidinone: Computational Study on the Control of the Tautomeric Equilibrium

Is Uracil Aromatic? The Enthalpies of Hydrogenation in the Gaseous and Crystalline Phases, and in Aqueous Solution, as Tools to Obtain an Answer

Experimental and Computational Study on the Molecular Energetics of Indoline and Indole

Thermodynamic and Conformational Study of Proline Stereoisomers

Levoglucosan: A Calorimetric, Thermodynamic, Spectroscopic, and Computational Investigation

From 2,4-Dimethoxypyrimidine to 1,3-Dimethyluracil: Isomerization and Hydrogenation Enthalpies and Noncovalent Interactions

Thermodynamic Study of Chlorobenzonitrile Isomers: A Survey on the Polymorphism, Pseudosymmetry, and the Chloro···Cyano Interaction

Computational Study on the Bond Dissociation Enthalpies in the Enolic and Ketonic Forms of β-Diketones: Their Influence on Metal−Ligand Bond Enthalpies

Experimental and Computational Thermochemical Study of α-Alanine (DL) and β-Alanine

Molecular Energetics of Cytosine Revisited: A Joint Computational and Experimental Study

Experimental and Computational Studies on the Molecular Energetics of Chlorobenzophenones

Experimental and Computational Investigation of the Energetics of the Three Isomers of Monochloroaniline

Energetic Study Applied to the Knowledge of the Structural and Electronic Properties of Monofluorobenzonitriles

Combined Experimental and Computational Study of the Thermochemistry of Methylpiperidines

Diaminobenzenes: An Experimental and Computational Study

Experimental and Computational Study on the Molecular Energetics of 2-Pyrrolecarboxylic Acid and 1-Methyl-2-pyrrolecarboxylic Acid

A Combined Experimental and Computational Thermodynamic Study of the Isomers of Pyrrolecarboxaldehyde and 1-Methyl- pyrrolecarboxaldehyde

Comparative Computational and Experimental Study on the Thermochemistry of the Chloropyrimidines

Experimental and Computational Study of the Thermochemistry of the Fluoromethylaniline Isomers

Experimental and Computational Thermochemical Study of N-Benzylalanines

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