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Melin, Junia
31
results:
Search for persons
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Online (31)
Mediatypes
Articles (Online) (18)
OpenAccess-fulltext (13)
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english (23)
spanish (4)
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1
Using the general-purpose reactivity indicator: challenging..:
Anderson, James S. M.
;
Melin, Junia
;
Ayers, Paul W.
Journal of Molecular Modeling. 22 (2016) 3 - p. , 2016
Link:
https://doi.org/10.1007/..
?
2
On the intrinsic reactivity index for electrophilicity/nucl..:
Chamorro, Eduardo
;
Melin, Junia
Journal of Molecular Modeling. 21 (2015) 3 - p. , 2015
Link:
https://doi.org/10.1007/..
?
3
Efficient evaluation of analytic Fukui functions:
Flores-Moreno, Roberto
;
Melin, Junia
;
Ortiz, J. V.
.
The Journal of Chemical Physics. 129 (2008) 22 - p. , 2008
Link:
https://doi.org/10.1063/..
?
4
Removing Electrons Can Increase the Electron Density: A Co..:
Melin, Junia
;
Ayers, Paul W.
;
Ortiz, Joseph Vincent
The Journal of Physical Chemistry A. 111 (2007) 40 - p. 10017-10019 , 2007
Link:
https://doi.org/10.1021/..
?
5
Conceptual Density-Functional Theory for General Chemical R..:
Anderson, James S. M.
;
Melin, Junia
;
Ayers, Paul W.
Journal of Chemical Theory and Computation. 3 (2007) 2 - p. 358-374 , 2007
Link:
https://doi.org/10.1021/..
?
6
Conceptual Density-Functional Theory for General Chemical R..:
Anderson, James S. M.
;
Melin, Junia
;
Ayers, Paul W.
Journal of Chemical Theory and Computation. 3 (2007) 2 - p. 375-389 , 2007
Link:
https://doi.org/10.1021/..
?
7
Tautomeric Forms of Azolide Anions: Vertical Electron Deta..:
Melin, Junia
;
Singh, Raman K.
;
Mishra, Manoj K.
.
The Journal of Physical Chemistry A. 111 (2007) 50 - p. 13069-13074 , 2007
Link:
https://doi.org/10.1021/..
?
8
OH3− and O2H5− double Rydberg anions: Predictions and compa..:
Melin, Junia
;
Ortiz, J. V.
The Journal of Chemical Physics. 127 (2007) 1 - p. , 2007
Link:
https://doi.org/10.1063/..
?
9
Electronic Structure Analysis and Electron Detachment Energ..:
Melin, Junia
;
Mishra, Manoj K.
;
Ortiz, J. V.
The Journal of Physical Chemistry A. 110 (2006) 44 - p. 12231-12235 , 2006
Link:
https://doi.org/10.1021/..
?
10
Computing the Fukui function from ab initio quantum chemist..:
Ayers, Paul W.
;
Melin, Junia
Theoretical Chemistry Accounts. 117 (2006) 3 - p. 371-381 , 2006
Link:
https://doi.org/10.1007/..
?
11
The electron-propagator approach to conceptual density-func..:
Melin, Junia
;
Ayers, Paul W.
;
Ortiz, J. V.
Journal of Chemical Sciences. 117 (2005) 5 - p. 387-400 , 2005
Link:
https://doi.org/10.1007/..
?
12
Ground and excited states of the Rydberg radical H3O: Elect..:
Melin, Junia
;
Ortiz, J. V.
;
Martín, I.
..
The Journal of Chemical Physics. 122 (2005) 23 - p. , 2005
Link:
https://doi.org/10.1063/..
?
13
Is the Fukui Function a Right Descriptor of Hard−Hard Inter..:
Melin, Junia
;
Aparicio, Felipe
;
Subramanian, Venkatesan
..
The Journal of Physical Chemistry A. 108 (2004) 13 - p. 2487-2491 , 2004
Link:
https://doi.org/10.1021/..
?
14
Probing the hydride transfer process in the lumiflavine–1-m..:
Rivas, Pilar
;
Zapata-Torres, Gerald
;
Melin, Junia
.
Tetrahedron. 60 (2004) 19 - p. 4189-4196 , 2004
Link:
https://doi.org/10.1016/..
?
15
Application of the electron localization function to radica..:
Melin, Junia
;
Fuentealba, P.
International Journal of Quantum Chemistry. 92 (2003) 4 - p. 381-390 , 2003
Link:
https://doi.org/10.1002/..
1-15