Junia Melin

The Graduate Center, CUNY — United States

Physics and Astronomy · Physical Sciences

15h-index1.1kcitations24works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(19), Spectroscopy and Quantum Chemical Studies(7), Free Radicals and Antioxidants(7), Molecular Junctions and Nanostructures(4), Photochemistry and Electron Transfer Studies(4)

Publications24 total

On the Asymmetry of Vibrational Energy Flow
arXiv (Cornell University)·2016Open Access
Using the general-purpose reactivity indicator: challenging examples
Journal of Molecular Modeling·2016· 8 cited
On the intrinsic reactivity index for electrophilicity/nucleophilicity responses
Journal of Molecular Modeling·2015· 11 cited
Partial photoionization cross sections of NH4 and H3O Rydberg radicals
The Journal of Chemical Physics·2009· 16 cited
Three approximations to the nonlocal and energy‐dependent correlation potential in electron propagator theory
International Journal of Quantum Chemistry·2009· 28 cited
Efficient evaluation of analytic Fukui functions
The Journal of Chemical Physics·2008· 78 cited
New insights in the photochromic spiro-dihydroindolizine/betaine-system
Photochemical & Photobiological Sciences·2008· 18 citedOpen Access
Tautomeric Forms of Azolide Anions:  Vertical Electron Detachment Energies and Dyson Orbitals
The Journal of Physical Chemistry A·2007· 11 cited
Removing Electrons Can Increase the Electron Density:  A Computational Study of Negative Fukui Functions
The Journal of Physical Chemistry A·2007· 124 cited
O H 3 − and O2H5− double Rydberg anions: Predictions and comparisons with NH4− and N2H7−
The Journal of Chemical Physics·2007· 17 cited
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 1. Theory and Derivation of a General-Purpose Reactivity Indicator
Journal of Chemical Theory and Computation·2007· 154 cited
Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory Fails
Journal of Chemical Theory and Computation·2007· 113 cited
Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions
Physical Chemistry Chemical Physics·2007· 97 cited
Chapter 6 Electronic structure and reactivity in double Rydberg anions: characterization of a novel kind of electron pair
Theoretical and computational chemistry·2007· 10 cited
Electronic Structure Analysis and Electron Detachment Energies of Polynitrogen Pentagonal Aromatic Anions
The Journal of Physical Chemistry A·2006· 12 cited
Computing the Fukui function from ab initio quantum chemistry: approaches based on the extended Koopmans’ theorem
Theoretical Chemistry Accounts·2006· 38 cited
The electron-propagator approach to conceptual density-functional theory
Journal of Chemical Sciences·2005· 35 cited
Ground and excited states of the Rydberg radical H3O: Electron propagator and quantum defect analysis
The Journal of Chemical Physics·2005· 15 citedOpen Access
Probing the hydride transfer process in the lumiflavine–1-methylnicotinamide model system using group softness
Tetrahedron·2004· 12 citedOpen Access
Is the Fukui Function a Right Descriptor of Hard−Hard Interactions?
The Journal of Physical Chemistry A·2004· 150 cited
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Frequent Co-authors

J. V. Ortiz(10), Paul W. Ayers(7), James S. M. Anderson(3), Felipe Aparicio(2), Pratim Kumar Chattaraj(2), Roberto Flores‐Moreno(2), Renato Contreras(2), O. Dolgounitcheva(2), V. G. Zakrzewski(2), A. M. Velasco(2), C. Lavı́n(2), I. Martı́n(2), Manoj K. Mishra(2), V. Subramanian(1), Marcelo Galván(1), Gabriel Merino(1), Gloria Cárdenas‐Jirón(1), Soledad Gutiérrez‐Oliva(1), Alejandro Toro‐Labbé(1), Patricio Fuentealba(1)