| 1 |
Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)
Nagy PI
International Journal of Molecular Sciences, 16(5), 10767, 2015 |
| 2 |
Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution
Nagy PI
International Journal of Molecular Sciences, 15(11), 19562, 2014 |
| 3 |
Are the Intramolecular O-H center dot center dot center dot F and O-H center dot center dot center dot Cl Hydrogen Bonds Maintained in Solution? A Theoretical Study
Nagy PI
Journal of Physical Chemistry A, 117(13), 2812, 2013 |
| 4 |
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
Nagy PI
Journal of Physical Chemistry A, 116(29), 7726, 2012 |
| 5 |
On the Interaction of Aliphatic Amines and Ammonium Ions with Carboxylic Acids in Solution and in Receptor Pockets
Nagy PI, Erhardt PW
Journal of Physical Chemistry B, 116(18), 5425, 2012 |
| 6 |
Theoretical Studies of the In-Solution Isomeric Protonation of Non-Aromatic Six-Member Rings with Two Nitrogens
Nagy PI, Messer WS
Journal of Physical Chemistry B, 115(16), 4758, 2011 |
| 7 |
Combined ab Initio/DFT and Monte Carlo Calculation of Relative Standard Chemical Potentials in Solution
Nagy PI
Journal of Physical Chemistry B, 115(31), 9634, 2011 |
| 8 |
Theoretical and Experimental Studies of the Isomeric Protonation in Solution for a Prototype Aliphatic Ring Containing Two Nitrogens
Nagy PI, Maheshwari A, Kim YW, Messer WS
Journal of Physical Chemistry B, 114(1), 349, 2010 |
| 9 |
Theoretical Studies of Salt-Bridge Formation by Amino Acid Side Chains in Low and Medium Polarity Environments
Nagy PI, Erhardt PW
Journal of Physical Chemistry B, 114(49), 16436, 2010 |
| 10 |
Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains
Nagy PI, Erhardt PW
Journal of Physical Chemistry A, 112(18), 4342, 2008 |
