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Analysis of CF···FC Interactions on Cyclohexane and Naphthalene Frameworks

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (36), p.7901-7910

2014

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APPLICATIONS OF NMR AND THEORETICAL CALCULATIONS TO STUDY THE O-H∙∙∙N INTRAMOLECULAR HYDROGEN BOND EFFECT ON THE CONFORMATIONAL EQUILIBRIUM OF CIS-3-N-ETHYLAMINOCYCLOHEXANOL AND CIS-3-N,N-DIETHYLAMINOCYCLOHEXANOL

Química Nova, 2023-01, Vol.46 (8), p.771-777

2023

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A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine

Chemical physics, 2013-06, Vol.421, p.32-38

2013

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Exploring the G3 method in the study of rotational barrier of some simple molecules

International journal of quantum chemistry, 2010-09, Vol.110 (11), p.2006-2014

2010

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Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses

Beilstein journal of organic chemistry, 2017-05, Vol.13 (1), p.925-937

2017

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Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 1H NMR and infrared spectroscopies and theoretical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-04, Vol.123, p.482-489

2014

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Strong hyperconjugative interactions limit solvent and substituent influence on conformational equilibrium: the case of cis -2-halocyclohexylamines

Beilstein journal of organic chemistry, 2019-04, Vol.15 (1), p.818-829

2019

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The Role of Hyperconjugation in the Conformational Analysis of Methylcyclohexane and Methylheterocyclohexanes

Journal of organic chemistry, 2003-08, Vol.68 (17), p.6780-6787

2003

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Structural basis for the binding of the cancer targeting scorpion toxin, ClTx, to the vascular endothelia growth factor receptor neuropilin-1

Current research in structural biology, 2021-01, Vol.3, p.179-186

2021

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EGFR Tyrosine Kinase Inhibitor (PD153035) Improves Glucose Tolerance and Insulin Action in High-Fat Diet–Fed Mice

Diabetes (New York, N.Y.), 2009-12, Vol.58 (12), p.2910-2919

2009

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Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

Beilstein journal of organic chemistry, 2014-04, Vol.10 (1), p.877-882

2014

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In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil

Bioorganic & medicinal chemistry, 2008-08, Vol.16 (16), p.7599-7606

2008

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Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols

Beilstein journal of organic chemistry, 2012-01, Vol.8 (1), p.112-117

2012

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Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Beilstein journal of organic chemistry, 2013-06, Vol.9 (1), p.1127-1134

2013

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Conformational Landscape of α-Halopropiophenones Determined by nJC-H NMR Reveals Unexpected Patterns and Geometric Constraints

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (9), p.1566-1575

2024

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Conformational Landscape of α‑Halopropiophenones Determined by n J C–H NMR Reveals Unexpected Patterns and Geometric Constraints

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (9), p.1566-1575

2024

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Combined Utilization of 1H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l‑Histidine Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (3), p.729-740

2017

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Conformational preferences of N-acetyl-N′-methylprolineamide in different media: a 1H NMR and theoretical investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nj05035j

2019-01

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Conformational preferences of N -acetyl- N ′-methylprolineamide in different media: a 1 H NMR and theoretical investigation

New journal of chemistry, 2019-01, Vol.43 (4), p.1757-1763

2019

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Combined Utilization of 1 H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l-Histidine Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (3), p.729-740

2017

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Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT studyElectronic supplementary information (ESI) available: Computational details, NMR spectra and experimental details, extrapolation details and data, calculated isotropic shielding data. See DOI: 10.1039/c5ob01296a

2015-08

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Rapid Synthesis of Primary Amines from Ketones using Choline Chloride/Urea Deep Eutectic as a Reaction Medium

Organic preparations and procedures international, 2022-03, Vol.54 (2), p.184-190

2022

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Inter- and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives

Journal of computational chemistry, 2016-01, Vol.37 (1), p.25-33

2016

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Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (25), p.16904-16913

2017

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Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures

Analytical chemistry (Washington), 2020-01, Vol.92 (2), p.2224-2228

2020

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Analysis of CF···FC Interactions on Cyclohexane and Naphthalene Frameworks

APPLICATIONS OF NMR AND THEORETICAL CALCULATIONS TO STUDY THE O-H∙∙∙N INTRAMOLECULAR HYDROGEN BOND EFFECT ON THE CONFORMATIONAL EQUILIBRIUM OF CIS-3-N-ETHYLAMINOCYCLOHEXANOL AND CIS-3-N,N-DIETHYLAMINOCYCLOHEXANOL

A theoretical investigation of the dictating forces in small amino acid conformational preferences: The case of glycine, sarcosine and N,N-dimethylglycine

Exploring the G3 method in the study of rotational barrier of some simple molecules

Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses

Phenylalanine and tyrosine methyl ester intramolecular interactions and conformational analysis by 1H NMR and infrared spectroscopies and theoretical calculations

Strong hyperconjugative interactions limit solvent and substituent influence on conformational equilibrium: the case of cis -2-halocyclohexylamines

The Role of Hyperconjugation in the Conformational Analysis of Methylcyclohexane and Methylheterocyclohexanes

Structural basis for the binding of the cancer targeting scorpion toxin, ClTx, to the vascular endothelia growth factor receptor neuropilin-1

EGFR Tyrosine Kinase Inhibitor (PD153035) Improves Glucose Tolerance and Insulin Action in High-Fat Diet–Fed Mice

Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Conformational Landscape of α-Halopropiophenones Determined by nJC-H NMR Reveals Unexpected Patterns and Geometric Constraints

Conformational Landscape of α‑Halopropiophenones Determined by n J C–H NMR Reveals Unexpected Patterns and Geometric Constraints

Combined Utilization of 1H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l‑Histidine Derivatives

Conformational preferences of N-acetyl-N′-methylprolineamide in different media: a 1H NMR and theoretical investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c8nj05035j

Conformational preferences of N -acetyl- N ′-methylprolineamide in different media: a 1 H NMR and theoretical investigation

Combined Utilization of 1 H NMR, IR, and Theoretical Calculations To Elucidate the Conformational Preferences of Some l-Histidine Derivatives

Rapid Synthesis of Primary Amines from Ketones using Choline Chloride/Urea Deep Eutectic as a Reaction Medium

Inter- and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives

Trends of intramolecular hydrogen bonding in substituted alcohols: a deeper investigation

Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures

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