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Competing intramolecular vs. intermolecular hydrogen bonds in solution

International Journal of Molecular Sciences, 2014-10, Vol.15 (11), p.19562-19633

Nagy, Peter I

2014

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Aqueous Extracts of Organic Mulch Materials Have Nematicide and Repellent Effect on Meloidogyne incognita Infective Juveniles: A Laboratory Study

Journal of nematology, 2023-02, Vol.55 (1), p.20230037-1039

2023

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Replacement of Oxygen by Sulfur in Small Organic Molecules. 3. Theoretical Studies on the Tautomeric Equilibria of the 2OH and 4OH-Substituted Oxazole and Thiazole and the 3OH and 4OH-Substituted Isoxazole and Isothiazole in the Isolated State and in Solution

International journal of molecular sciences, 2016-07, Vol.17 (7), p.1094-1094

Nagy, Peter I

2016

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Combined ab Initio/DFT and Monte Carlo Calculation of Relative Standard Chemical Potentials in Solution

The journal of physical chemistry. B, 2011-08, Vol.115 (31), p.9634-9645

Nagy, Peter I

2011

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Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)

International journal of molecular sciences, 2015-05, Vol.16 (5), p.10767-10796

Nagy, Peter I

2015

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In-solution conformational analysis of the XCYCH3 moiety for small esters and ethers with all combinations of X, Y = O, S

Molecules (Basel, Switzerland), 2013-07, Vol.18 (7), p.8063-8082

Nagy, Peter I

2013

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Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in Solution

Journal of chemical theory and computation, 2007-07, Vol.3 (4), p.1249-1266

2007

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Theoretical Study of the Enol Imine ↔ Enaminone Tautomeric Equilibrium in Organic Solvents

The journal of physical chemistry. B, 2006-12, Vol.110 (49), p.25026-25032

2006

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Differential Induction of Cytoplasmic Vacuolization and Methuosis by Novel 2‑Indolyl-Substituted Pyridinylpropenones

ACS medicinal chemistry letters, 2014-01, Vol.5 (1), p.73-77

2014

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Theoretical and Experimental Studies of the Isomeric Protonation in Solution for a Prototype Aliphatic Ring Containing Two Nitrogens

The journal of physical chemistry. B, 2010-01, Vol.114 (1), p.349-360

2010

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Are the Intramolecular O-H...F and O-H...Cl Hydrogen Bonds Maintained in Solution? A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (13), p.2812-2826-2812-2826

Nagy, Peter I

2013

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The syn–anti equilibrium for the COOH group reinvestigated. Theoretical conformation analysis for acetic acid in the gas phase and in solution

Computational and theoretical chemistry, 2013-10, Vol.1022, p.59-69

Nagy, Peter I.

2013

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Theoretical Studies of the Solvent Effect on the Conformation of the HO–C–C–X (X = F, NH2, NO2) Moiety with Competing Intra- and Intermolecular Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-07, Vol.116 (29), p.7726-7741

Nagy, Peter I

2012

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The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challenge

Physical chemistry chemical physics : PCCP, 2010-09, Vol.12 (35), p.10173-10188

2010

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Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine

Journal of the American Chemical Society, 2003-03, Vol.125 (9), p.2770-2785

2003

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Theoretical study of the gauche―trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO―) in solution

Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (40), p.13955-13962

NAGY, Peter I

2012

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Structure simulations for the 0.22 and 1 molar aqueous dimethylammonium chloride solutions

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (2), p.849-857

NAGY, Peter I

2012

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On the Interaction of Aliphatic Amines and Ammonium Ions with Carboxylic Acids in Solution and in Receptor Pockets

The journal of physical chemistry. B, 2012-05, Vol.116 (18), p.5425-5436

2012

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Are the Intramolecular O–H···F and O–H···Cl Hydrogen Bonds Maintained in Solution? A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (13), p.2812-2826

Nagy, Peter I.

2013

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Theoretical Studies of Salt-Bridge Formation by Amino Acid Side Chains in Low and Medium Polarity Environments

The journal of physical chemistry. B, 2010-12, Vol.114 (49), p.16436-16442

2010

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Theoretical Study of the Tautomeric/Conformational Equilibrium of Aspartic Acid Zwitterions in Aqueous Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-07, Vol.104 (29), p.6834-6843

2000

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Molecular dynamics and Monte Carlo simulations for the structure of the aqueous trimethylammonium chloride solution in the 0.2-1 molar range

Physical chemistry chemical physics : PCCP, 2011-04, Vol.13 (13), p.6270-6279

2011

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Replacement of Oxygen by Sulfur in Small Organic Molecules. 2. Theoretical Studies on the Tautomeric Equilibria of the 5-OH Substituted Oxazole, Thiazole, Isoxazole, and Isothiazole in the Isolated State and in Solution

Current physical chemistry, 2016-09, Vol.6 (3), p.224-241

I. Nagy, Peter

2016

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Viral protein inhibits RISC activity by argonaute binding through conserved WG/GW motifs

PLoS pathogens, 2010-07, Vol.6 (7), p.e1000996

2010

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A family of plasmodesmal proteins with receptor-like properties for plant viral movement proteins

PLoS pathogens, 2010-09, Vol.6 (9), p.e1001119-e1001119

2010

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Competing intramolecular vs. intermolecular hydrogen bonds in solution

Aqueous Extracts of Organic Mulch Materials Have Nematicide and Repellent Effect on Meloidogyne incognita Infective Juveniles: A Laboratory Study

Replacement of Oxygen by Sulfur in Small Organic Molecules. 3. Theoretical Studies on the Tautomeric Equilibria of the 2OH and 4OH-Substituted Oxazole and Thiazole and the 3OH and 4OH-Substituted Isoxazole and Isothiazole in the Isolated State and in Solution

Combined ab Initio/DFT and Monte Carlo Calculation of Relative Standard Chemical Potentials in Solution

Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)

In-solution conformational analysis of the XCYCH3 moiety for small esters and ethers with all combinations of X, Y = O, S

Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in Solution

Theoretical Study of the Enol Imine ↔ Enaminone Tautomeric Equilibrium in Organic Solvents

Differential Induction of Cytoplasmic Vacuolization and Methuosis by Novel 2‑Indolyl-Substituted Pyridinylpropenones

Theoretical and Experimental Studies of the Isomeric Protonation in Solution for a Prototype Aliphatic Ring Containing Two Nitrogens

Are the Intramolecular O-H...F and O-H...Cl Hydrogen Bonds Maintained in Solution? A Theoretical Study

The syn–anti equilibrium for the COOH group reinvestigated. Theoretical conformation analysis for acetic acid in the gas phase and in solution

Theoretical Studies of the Solvent Effect on the Conformation of the HO–C–C–X (X = F, NH2, NO2) Moiety with Competing Intra- and Intermolecular Hydrogen Bonds

The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challenge

Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine

Theoretical study of the gauche―trans equilibrium with and without an intramolecular hydrogen bond for +H3NCH2CH2X systems (X = OH, NH2, COO―) in solution

Structure simulations for the 0.22 and 1 molar aqueous dimethylammonium chloride solutions

On the Interaction of Aliphatic Amines and Ammonium Ions with Carboxylic Acids in Solution and in Receptor Pockets

Are the Intramolecular O–H···F and O–H···Cl Hydrogen Bonds Maintained in Solution? A Theoretical Study

Theoretical Studies of Salt-Bridge Formation by Amino Acid Side Chains in Low and Medium Polarity Environments

Theoretical Study of the Tautomeric/Conformational Equilibrium of Aspartic Acid Zwitterions in Aqueous Solution

Molecular dynamics and Monte Carlo simulations for the structure of the aqueous trimethylammonium chloride solution in the 0.2-1 molar range

Replacement of Oxygen by Sulfur in Small Organic Molecules. 2. Theoretical Studies on the Tautomeric Equilibria of the 5-OH Substituted Oxazole, Thiazole, Isoxazole, and Isothiazole in the Isolated State and in Solution

Viral protein inhibits RISC activity by argonaute binding through conserved WG/GW motifs

A family of plasmodesmal proteins with receptor-like properties for plant viral movement proteins

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