Lista de obras - Roberto Rittner - Dominio Público Uruguay

1,3-Diaxial steric effects and intramolecular hydrogen bonding in the conformational equilibria of new cis-1,3-disubstituted cyclohexanes using low temperature NMR spectra and theoretical calculations

artículo científico publicado en 2005

13C NMR chemical shift substituent effects. 4-α-monosubstituted acetones

13C NMR chemical shift substituent effects. 5—α-MonosubstitutedN,N-diethylacetamides

13C NMR spectra of some 4-substitutedN-acetonyl -N,N-dimethyl-N-phenacyl-ammonium bromides

13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I).

artículo científico publicado en 2005

13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes

scholarly article by Ivânia T.A. Schuquel et al published June 2014 in Journal of Molecular Structure

1H NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester

article

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

artículo científico publicado en 2011

2D Chemical Drawings Correlate to Bioactivities: MIA-QSAR Modelling of Antimalarial Activities of 2,5-Diaminobenzophenone Derivatives

article

A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations

artículo científico publicado en 2013

A fast 1H NMR spectroscopy procedure for quantitative determination of N-acetylaspartate in urine samples

artículo científico publicado en 2009

A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories.

artículo científico publicado en 2014

A theoretical and experimental1H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester

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

A1H NMR and molecular modelling investigation of diastereotopic methylene hydrogen atoms

Alkyl Group Effect on the Conformational Isomerism oftrans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

article

An investigation of chlorophenol proton affinities and their influence on the biological activity of microorganisms

artículo científico publicado en 2006

An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopy

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

article

Analysis of the Electronic Origin of the1JCHSpin−Spin Coupling Trend in 1-X-Cyclopropanes: Experimental and DFT Study

scientific article published on 25 October 2008

Anomeric Effect on Geminal and VicinalJHHNMR Coupling Constants

Are hydrogen bonds responsible for glycine conformational preferences?

Assignments of1H and13C NMR Spectral Data for Benzoylecgonine, a Cocaine Metabolite

Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

artículo científico publicado en 2007

Carbon-13 NMR chemical shift substituent effects 8—3-monosubstituted 2-methylpropenes

Carbon-13 NMR spectra of some 2- ethylthio-4′-substituted acetophenones and their mono- and di-oxygenated derivatives

Carbon-13 NMR spectra of some 4-substituted phenacyl bromides

Carbon-13 NMR spectra of some 4-substituted phenacyl chlorides and iodides

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

artículo científico publicado en 2017

Complete assignment of 1H and 13C NMR spectra of alpha-phenylsulfinyl-N-methoxy-N-methylpropionamide and some p-substituted derivatives

artículo científico publicado en 2009

Complete assignment of1H and13C NMR spectra of some 4?-substituted diethyl 1-methylthio- and diethyl 1-methylsulfonyl-2-oxo-2-phenylethylphosphonates

artículo científico publicado en 2005

Complete assignment of1H and13C NMR spectra of some α-arylthio and α-arylsulfonyl substituted N-methoxy-N-methyl propionamides

artículo científico publicado en 2007

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

artículo científico publicado en 2012

Conformational analysis and intramolecular interactions in aminofluorobenzoic acids

artículo científico publicado en 2013

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

artículo científico publicado en 2013

Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies

artículo científico publicado en 2014

Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation

artículo científico publicado en 2005

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

artículo científico publicado en 2014

Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations

artículo científico publicado en 2009

Conformational analysis of 6-fluorosalicylic acid

article

Conformational analysis of fluoroacetoxime and of itsO-methyl ether by1H,13C and15N NMR and theoretical calculations

article

Conformational and electronic interaction studies of some p-substituted α-methylsulfonyl-α-diethoxyphosphorylacetophenones

Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs

Conformational and stereoeletronic investigations of muscarinic agonists of acetylcholine by NMR and theoretical calculations

Conformational behaviour in S-methyl halothioacetates through NMR, FT-IR, and theoretical calculations

Conformational equilibria of trans -3-X-cyclohexanols (X = Cl, Br, CH3 and OCH3). A low temperature NMR study and theoretical calculations.

artículo científico publicado en 2008

Conformational preferences and orbital interactions for methyl haloacetates

artículo científico publicado en 2005

Conformational preferences for N,N-dimethyl-2-haloacetamides (halo=F, Cl, Br and I) through theoretical and experimental studies: An unexpected orbital interaction

article

Conformational preferences for some 2-substituted N-methoxy-N-methylacetamides through spectroscopic and theoretical studies

Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations

artículo científico publicado en 2011

Conformational preferences of Ac-Gly-NHMe in solution

scholarly article in RSC Advances, vol. 5 no. 17, 2015

Conformational properties of trans-2-halo-acetoxycyclohexanes: 1H NMR, solvation and theoretical investigation

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

artículo científico publicado en 2017

DNA nucleobase synthesis at Titan atmosphere analog by soft X-rays

artículo científico publicado en 2009

Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes

scholarly article by Rodrigo A. Cormanich et al published June 2014 in Helvetica Chimica Acta

Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems

Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?

artículo científico publicado en 2014

Electronic Interactions and Their Influence on the Conformational Stability oftrans-2-Halocyclopentanol

artículo científico publicado en 2007

Electronic interactions implied by the non-additivity of carbon-13 substituent parameters in 2-substituted cyclohexanones

Endocyclic Oxygen in 3-Fluorodihydro-2H-pyran-4(3H)-one That Does Not Induce the Gauche Effect

artículo científico publicado en 2014

Experimental and Theoretical Studies of Intramolecular Hydrogen Bonding in 3-Hydroxytetrahydropyran: Beyond AIM Analysis

article

Experimental and theoretical evaluation of trans-3-halo-2-hydroxy-tetrahydropyran conformational preferences. Beyond anomeric interaction

scholarly article in RSC Advances, vol. 5 no. 45, 2015

Experimental and theoretical evaluation on the conformational behavior of l-aspartic acid dimethyl ester and its N-acetylated derivative

scholarly article in RSC Advances, vol. 5 no. 23, 2015

Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms

artículo científico publicado en 2007

Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR1JCFCoupling Constants in Fluorobenzene Derivatives

article

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

Expression of Concern. EGFR Tyrosine Kinase Inhibitor (PD153035) Improves Glucose Tolerance and Insulin Action in High-Fat Diet-Fed Mice. Diabetes 2009;58:2910-2919. DOI: 10.2337/db08-0506. PMID: 19696185.

artículo científico publicado en 2017

FESTA: An Efficient Nuclear Magnetic Resonance Approach for the Structural Analysis of Mixtures Containing Fluorinated Species.

artículo científico publicado en 2018

Gauche Preference of β-Fluoroalkyl Ammonium Salts

artículo científico publicado en 2014

Heavy Halogen Atom Effect on13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

artículo científico publicado en 2009

High performance liquid chromatography analysis of a 4-anilinoquinazoline derivative (PD153035), a specific inhibitor of the epidermal growth factor receptor tyrosine kinase, in rat plasma

artículo científico publicado en 2005

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

artículo científico publicado en 2008

Influence of OH⋯N and NH⋯O inter- and intramolecular hydrogen bonds in the conformational equilibrium of some 1,3-disubstituted cyclohexanes through NMR spectroscopy and theoretical calculations

scientific article published on 13 February 2011

Infrared and theoretical calculations in 2-halocycloheptanones conformational analysis.

artículo científico publicado en 2012

Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone

artículo científico publicado en 2003

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

scientific article published on 23 April 2015

Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?

artículo científico publicado en 2007

MIA-QSAR as an Alternative Approach for Modeling Some Antifungals

article

Molecular modeling and biological evaluation of 2-N,N-dimethylaminecyclohexyl 1-N′,N′-dimethylcarbamate isomers and their methylsulfate salts as cholinesterases inhibitors

Multinuclear magnetic resonance and theoretical calculations in the study of structure and tautomerism of some 2-amino-N'-(aryl)-benzamidines.

artículo científico publicado en 2003

NMR chemical shift substituent effects. 3—α-MonosubstitutedN,N-diethylacetamides; bifunctional compounds in LSR experiments

NMR chemical shift substituent effects: 2-α-monosubstitutedN,N-diethylacetamides

NMR spectroscopy and theoretical calculations in the conformational analysis of 1-methylpyrrolidin-2-one 3-halo-derivatives

artículo científico publicado en 2015

NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group.3JCH couplings in α-substituted acetamides

artículo científico publicado en 2008

New organophosphorus compounds: Cholinesterases inhibition, cytotoxicity and lethal dose

artículo científico publicado en 2007

New substituted 4-arylaminoquinazolines as potent inhibitors of breast tumor cell lines: in vitro and docking experiments.

artículo científico publicado en 2010

Nigriventrine: A low molecular mass neuroactive compound from the venom of the spider Phoneutria nigriventer

scientific article published on 07 December 2010

On the (4)J(HH) long-range coupling in 2-bromocyclohexanone: conformational insights

artículo científico publicado en 2009

On the stereoelectronic effects governing the rotational isomerism of 1,2-di-haloethanes

Orbital Interactions and Their Effects on13C NMR Chemical Shifts for 4,6-Disubstituted-2,2-dimethyl-1,3-dioxanes. A Theoretical Study

scientific article published on 01 July 2005

Particularly strong C–H⋯π interactions between benzene and all-cis 1,2,3,4,5,6-hexafluorocyclohexane

article

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

article

Potent cardioprotective effect of the 4-anilinoquinazoline derivative PD153035: involvement of mitochondrial K(ATP) channel activation

artículo científico publicado en 2010

Principal component analysis in studies of substituent-induced chemical shifts of 1,4-disubstituted benzenes

Proton resonance spectra and substituent-induced chemical shifts of 3-halocamphors

Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH3X…HX dimers (X = Br, Cl, F)

RETRACTED: EGFR tyrosine kinase inhibitor (PD153035) improves glucose tolerance and insulin action in high-fat diet-fed mice.

scientific article published on 20 August 2009

Revealing the Conformational Preferences of Proteinogenic Glutamic Acid Derivatives in Solution by 1H NMR Spectroscopy and Theoretical Calculations.

artículo científico publicado en 2018

Solvent effects in the 2JHH, 3JHH, 1JNC and 2JNC coupling constants in the NMR spectrum of acetylcholine chloride

Solvent effects in the conformational stability of α-substituted acetamides through theoretical and experimental data

article published in 2008

Spectroscopic and theoretical studies of some 2-ethylsulfinyl-(4′-substituted)-phenylthioacetates

Spectroscopic and theoretical studies of some 2-substituted N-methoxy-N-methyl-amides

Spectroscopic and theoretical studies of some N-methoxy-N-methyl-2-[(4′-substituted) phenylsulfonyl]propanamides

Spectroscopic and theoretical studies of some N-methoxy-N-methyl-2-[(4′-substituted) phenylthio]propanamides

Statement of Retraction. EGFR Tyrosine Kinase Inhibitor (PD153035) Improves Glucose Tolerance and Insulin Action in High-Fat Diet-Fed Mice. Diabetes 2009;58:2910-2919. DOI: 10.2337/db08-0506. PMID: 19696185.

artículo científico publicado en 2017

Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides

Stereoelectronic and inductive effects on1H and13C NMR chemical shifts of somecis-1,3-disubstituted cyclohexanes

artículo científico publicado en 2006

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

artículo científico publicado en 2019

Structural investigations of 5-hydroxy-4,5-dihydroisoxazoles

Structure Determination of Hydroxytrypargine: A New Tetrahydro-?-Carboline Toxin from the Venom of the SpiderParawixia bistriata

scholarly article by Lilian?M.?M. Cesar et al published April 2005 in Helvetica Chimica Acta

Structure Determination of an Organometallic 1-(Diazenylaryl)ethanol: A Novel Toxin Subclass from the Web of the SpiderNephila clavipes

artículo científico publicado en 2004

Structure determination of a tetrahydro-beta-carboline of arthropod origin: a novel alkaloid-toxin subclass from the web of spider Nephila clavipes.

artículo científico publicado en 2005

Studies on the s-cis-trans isomerism for some furan derivatives through IR and NMR spectroscopies and theoretical calculations

artículo científico publicado en 2012

Substituent effects in the 13C NMR chemical shifts of α-mono-substituted acetonitriles

artículo científico publicado en 2006

Substituent effects on the reduction of 2-alkylcyclohexanones by LiAlH4: an investigation of conformational equilibria and transition states

article published in 2010

Substituent effects on1H and13C NMR chemical shifts in ?-monosubstituted ethyl acetates: principal component analysis and1H chemical shift calculations

Synthesis and rational design of anti-inflammatory compounds:N-phenyl-cyclohexenyl sulfonamide derivatives

Synthesis of 4-Substituted N-[(Dimethylamino)methyl]benzamides: New Compounds

artículo científico publicado en 1983

Tautomerism in 8-Nitroguanosine Studied by NMR and Theoretical Calculations

artículo científico publicado en 2016

The Antagonist Effect of Nitrogen Lone Pair: 3 J HF versus 5 J HF

artículo científico publicado en 2018

The F⋯HO intramolecular hydrogen bond forming five-membered rings hardly appear in monocyclic organofluorine compounds

article

The MIA-QSAR Method for the Prediction of Bioactivities of Possible Acetylcholinesterase Inhibitors

scientific article published on 06 June 2012

The Reverse Fluorine Perlin-like Effect and Related Stereoelectronic Interactions

artículo científico publicado en 2014

The case of infrared carbonyl stretching intensities of 2-bromocyclohexanone: Conformational and intermolecular interaction insights

The case of intramolecular hydrogen bonding, hyperconjugation and classical effects on the conformational isomerism of substituted carbonyl and thiocarbonyl compounds

The conformational analysis of 2-halocyclooctanones

artículo científico publicado en 2014

The effect of carbonyl group in the asymmetry of 3,4JCH coupling constants in norbornanones.

artículo científico publicado en 2008

The lack of intramolecular hydrogen bonding and the side chain effect in alanine conformers

article

The preferred all-gauche conformations in 3-fluoro-1,2-propanediol

artículo científico publicado en 2013

The relevant effect of an intramolecular hydrogen bond on the conformational equilibrium of cis-3-methoxycyclohexanol compared to trans-3-methoxycyclohexanol and cis-1,3-dimethoxycyclohexane.

artículo científico publicado en 2005

The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes

artículo científico publicado en 2003

The role of stereoelectronic interactions in the conformational isomerism of some phosphorus-containing model compounds

The seeming lack of CF⋯HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solution

scientific article published on 01 September 2014

The subtle electronic effects of alkyl groups on the conformational equilibria and intramolecular hydrogen-bond strength in cis-3-alkoxycyclohexanols.

artículo científico publicado en 2007

The utility of infrared spectroscopy for quantitative conformational analysis at a single temperature

artículo científico publicado en 2003

Theoretical and Infrared Investigation of the Conformations of 1,3-Dihaloacetones

Theoretical and experimental investigation on the rotational isomerism in alpha-fluoroacetophenones

artículo científico publicado en 2009

Theoretical and infrared spectroscopy study of the conformational preferences for some 3-monosubstituted-2-methylpropenes

artículo científico publicado en 2011

Theoretical and infrared studies on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes

scientific article published on 23 June 2011

Theoretical and infrared studies on the conformations of monofluorophenols

Theoretical investigation of the conformational behaviour of 3-monosubstituted 2-methylpropenes

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

artículo científico publicado en 2017

Understanding the conformational behaviour of Ac-Ala-NHMe in different media. A joint NMR and DFT study.

artículo científico publicado en 2015

Lista de obras de Roberto Rittner

1,3-Diaxial steric effects and intramolecular hydrogen bonding in the conformational equilibria of new cis-1,3-disubstituted cyclohexanes using low temperature NMR spectra and theoretical calculations

13C NMR chemical shift substituent effects. 4-α-monosubstituted acetones

13C NMR chemical shift substituent effects. 5—α-MonosubstitutedN,N-diethylacetamides

13C NMR spectra of some 4-substitutedN-acetonyl -N,N-dimethyl-N-phenacyl-ammonium bromides

13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I).

13C NMR: nJCH and 1JCC scalar spin–spin coupling constants (SSCCs) for some 3-monosubstituted 2-methylpropenes

1H NMR and theoretical studies on the conformational equilibrium of tryptophan methyl ester

1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

2D Chemical Drawings Correlate to Bioactivities: MIA-QSAR Modelling of Antimalarial Activities of 2,5-Diaminobenzophenone Derivatives

A critical evaluation of the s-cis–trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations

A fast 1H NMR spectroscopy procedure for quantitative determination of N-acetylaspartate in urine samples

A study of the rotational barriers for some organic compounds using the G3 and G3CEP theories.

A theoretical and experimental1H NMR spectroscopy study of the stereoelectronic interactions that rule the conformational energies of alanine and valine methyl ester

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

A1H NMR and molecular modelling investigation of diastereotopic methylene hydrogen atoms

Alkyl Group Effect on the Conformational Isomerism oftrans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations

An investigation of chlorophenol proton affinities and their influence on the biological activity of microorganisms

An investigation of the electronic structure of some 3-monosubstituted-2-methylpropenes through computational chemistry and photoelectron spectroscopy

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

Analysis of the Electronic Origin of the1JCHSpin−Spin Coupling Trend in 1-X-Cyclopropanes: Experimental and DFT Study

Anomeric Effect on Geminal and VicinalJHHNMR Coupling Constants

Are hydrogen bonds responsible for glycine conformational preferences?

Assignments of1H and13C NMR Spectral Data for Benzoylecgonine, a Cocaine Metabolite

Bioactivities of a series of phosphodiesterase type 5 (PDE-5) inhibitors as modelled by MIA-QSAR.

Carbon-13 NMR chemical shift substituent effects 8—3-monosubstituted 2-methylpropenes

Carbon-13 NMR spectra of some 2- ethylthio-4′-substituted acetophenones and their mono- and di-oxygenated derivatives

Carbon-13 NMR spectra of some 4-substituted phenacyl bromides

Carbon-13 NMR spectra of some 4-substituted phenacyl chlorides and iodides

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

Complete assignment of 1H and 13C NMR spectra of alpha-phenylsulfinyl-N-methoxy-N-methylpropionamide and some p-substituted derivatives

Complete assignment of1H and13C NMR spectra of some 4?-substituted diethyl 1-methylthio- and diethyl 1-methylsulfonyl-2-oxo-2-phenylethylphosphonates

Complete assignment of1H and13C NMR spectra of some α-arylthio and α-arylsulfonyl substituted N-methoxy-N-methyl propionamides

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

Conformational analysis and intramolecular interactions in aminofluorobenzoic acids

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Conformational analysis and intramolecular interactions of L-proline methyl ester and its N-acetylated derivative through spectroscopic and theoretical studies

Conformational analysis and stereoelectronic effects in trans-1,2-dihalocyclohexanes: 1H NMR and theoretical investigation

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

Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations

Conformational analysis of 6-fluorosalicylic acid

Conformational analysis of fluoroacetoxime and of itsO-methyl ether by1H,13C and15N NMR and theoretical calculations

Conformational and electronic interaction studies of some p-substituted α-methylsulfonyl-α-diethoxyphosphorylacetophenones

Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs

Conformational and stereoeletronic investigations of muscarinic agonists of acetylcholine by NMR and theoretical calculations

Conformational behaviour in S-methyl halothioacetates through NMR, FT-IR, and theoretical calculations

Conformational equilibria of trans -3-X-cyclohexanols (X = Cl, Br, CH3 and OCH3). A low temperature NMR study and theoretical calculations.

Conformational preferences and orbital interactions for methyl haloacetates

Conformational preferences for N,N-dimethyl-2-haloacetamides (halo=F, Cl, Br and I) through theoretical and experimental studies: An unexpected orbital interaction

Conformational preferences for some 2-substituted N-methoxy-N-methylacetamides through spectroscopic and theoretical studies

Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations

Conformational preferences of Ac-Gly-NHMe in solution

Conformational properties of trans-2-halo-acetoxycyclohexanes: 1H NMR, solvation and theoretical investigation

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

DNA nucleobase synthesis at Titan atmosphere analog by soft X-rays

Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes

Density functionals for calculating NMR 1JCH coupling constants in electron-rich systems

Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?

Electronic Interactions and Their Influence on the Conformational Stability oftrans-2-Halocyclopentanol

Electronic interactions implied by the non-additivity of carbon-13 substituent parameters in 2-substituted cyclohexanones

Endocyclic Oxygen in 3-Fluorodihydro-2H-pyran-4(3H)-one That Does Not Induce the Gauche Effect

Experimental and Theoretical Studies of Intramolecular Hydrogen Bonding in 3-Hydroxytetrahydropyran: Beyond AIM Analysis

Experimental and theoretical evaluation of trans-3-halo-2-hydroxy-tetrahydropyran conformational preferences. Beyond anomeric interaction

Experimental and theoretical evaluation on the conformational behavior of l-aspartic acid dimethyl ester and its N-acetylated derivative

Experimental and theoretical investigation of NMR2JHH coupling constant on six-membered ring systems containing oxygen or sulfur atoms

Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR1JCFCoupling Constants in Fluorobenzene Derivatives

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

Expression of Concern. EGFR Tyrosine Kinase Inhibitor (PD153035) Improves Glucose Tolerance and Insulin Action in High-Fat Diet-Fed Mice. Diabetes 2009;58:2910-2919. DOI: 10.2337/db08-0506. PMID: 19696185.

FESTA: An Efficient Nuclear Magnetic Resonance Approach for the Structural Analysis of Mixtures Containing Fluorinated Species.

Gauche Preference of β-Fluoroalkyl Ammonium Salts

Heavy Halogen Atom Effect on13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study

High performance liquid chromatography analysis of a 4-anilinoquinazoline derivative (PD153035), a specific inhibitor of the epidermal growth factor receptor tyrosine kinase, in rat plasma

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

Influence of OH⋯N and NH⋯O inter- and intramolecular hydrogen bonds in the conformational equilibrium of some 1,3-disubstituted cyclohexanes through NMR spectroscopy and theoretical calculations

Infrared and theoretical calculations in 2-halocycloheptanones conformational analysis.

Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone

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

Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes?

MIA-QSAR as an Alternative Approach for Modeling Some Antifungals

Molecular modeling and biological evaluation of 2-N,N-dimethylaminecyclohexyl 1-N′,N′-dimethylcarbamate isomers and their methylsulfate salts as cholinesterases inhibitors