| 1 |
Accurate Nonlinear Optical Properties of Solvated para-Nitroaniline Predicted by an Electrostatic Discrete Local Field Approach
Hrivnak T, Reis H, Neogrady P, Zalesny R, Medved' M
Journal of Physical Chemistry B, 124(45), 10195, 2020 |
| 2 |
A three-ions model of electrodiffusion kinetics in a nanochannel
Sebechlebska T, Neogrady P, Valent I
Chemical Physics Letters, 663, 33, 2016 |
| 3 |
Ab initio study of many-body decomposition of the interaction energy in small beryllium clusters Be3-6
Sulka M, Pitonak M, Cernusak I, Urban M, Neogrady P
Chemical Physics Letters, 573, 8, 2013 |
| 4 |
Atmospheric Reactivity of CH2ICI with OH Radicals: High-Level OVOS CCSD(T) Calculations for the X-Abstraction Pathways (X = H, Cl, or I)
Sulkova K, Sulka M, Louis F, Neogrady P
Journal of Physical Chemistry A, 117(4), 771, 2013 |
| 5 |
Electrodiffusion Kinetics of Ionic Transport in a Simple Membrane Channel
Valent I, Petrovic P, Neogrady P, Schreiber I, Marek M
Journal of Physical Chemistry B, 117(46), 14283, 2013 |
| 6 |
Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model
Melichercik M, Pasteka LF, Neogrady P, Urban M
Journal of Physical Chemistry A, 116(9), 2343, 2012 |
| 7 |
Electron Affinities of Small Uracil-Water Complexes: A Comparison of Benchmark CCSD(T) Calculations with DFT
Dedikova P, Neogrady P, Urban M
Journal of Physical Chemistry A, 115(11), 2350, 2011 |
| 8 |
CCSD(T) calculations of the electron affinity of the uracil molecule
Dedikova P, Demovic L, Pitonak M, Neogrady P, Urban M
Chemical Physics Letters, 481(1-3), 107, 2009 |
| 9 |
Toward more efficient CCSD(T) calculations of intermolecular interactions in model hydrogen-bonded and stacked dimers
Dedikova P, Pitonak M, Neogrady P, Cernusak I, Urban M
Journal of Physical Chemistry A, 112(30), 7115, 2008 |
| 10 |
A Comparison of Variational and Coupled-Cluster Calculations of Molecular-Properties - The Polarizabilities of BeO, 1-Sigma(+)(G), and C-2, 1-Sigma(+)(G), (3)Pi(U), and 3-Sigma(-)(G)
Parasuk V, Neogrady P, Lischka H, Urban M
Journal of Physical Chemistry, 100(15), 6325, 1996 |
