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Robert Balawender
Observed names:
Balawender, R.,
Balawender, Robert,
R. Balawender
Institutions:
Institute of Physical Chemistry,
Polish Academy of Sciences
Observed institutions:
Wrocław University of Science and Technology,
Vrije Universiteit Brussel,
University of Wrocław,
Institute of Physical Chemistry,
Polish Academy of Sciences
ORCID:
0000-0002-4216-5255
Observed ORCID:
0000-0002-4216-5255
OpenAlex ID:
A5003378724
Atomic Fukui function indices and local softness ab initio
1998
·
Robert Balawender
, Ludwik Komorowski
·
The Journal of Chemical Physics
·
77
Exploring Chemical Space with the Alchemical Derivatives
2013
·
Robert Balawender
, Meressa A. Welearegay
, et al.
·
Journal of Chemical Theory and Computation
·
49
Nuclear Fukui function from coupled perturbed Hartree–Fock equations
2001
·
Robert Balawender
, Paul Geerlings
·
The Journal of Chemical Physics
·
44
Nuclear Fukui function and Berlin’s binding function: Prediction of the Jahn–Teller distortion
2001
·
Robert Balawender
, Frank De Proft
, et al.
·
The Journal of Chemical Physics
·
40
Exploring Chemical Space with Alchemical Derivatives: BN -Simultaneous Substitution Patterns in C60
2018
·
Robert Balawender
, Michał Lesiuk
, et al.
·
Journal of Chemical Theory and Computation
·
39
Derivatives of Molecular Valence as a Measure of Aromaticity
1998
·
Robert Balawender
, Ludwik Komorowski
, et al.
·
The Journal of Physical Chemistry A
·
38
Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness
2015
·
Ali Malek
, Robert Balawender
·
The Journal of Chemical Physics
·
37
Higher order alchemical derivatives from coupled perturbed self-consistent field theory
2012
·
Michał Lesiuk
, Robert Balawender
, et al.
·
The Journal of Chemical Physics
·
37
Solvent Effect on the Global and Atomic DFT-Based Reactivity Descriptors Using the Effective Fragment Potential Model. Solvation of Ammonia
2001
·
Robert Balawender
, Bennasser Safi
, et al.
·
The Journal of Physical Chemistry A
·
32
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept
2019
·
Robert Balawender
, Michael Lesiuk
, et al.
·
Physical Chemistry Chemical Physics
·
28
PDF
Solvent Effect on Electronegativity, Hardness, Condensed Fukui Functions, and Softness, in a Large Series of Diatomic and Small Polyatomic Molecules: Use of the EFP Model
2001
·
Bennasser Safi
, Robert Balawender
, et al.
·
The Journal of Physical Chemistry A
·
28
DFT-based chemical reactivity indices in the Hartree-Fock method. II. Fukui function, chemical potential, and hardness
2005
·
Robert Balawender
, Paul Geerlings
·
The Journal of Chemical Physics
·
25
Acidic and basic molecular hardness in LCAO approximation
1997
·
Robert Balawender
, Ludwik Komorowski
, et al.
·
International Journal of Quantum Chemistry
·
23
Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock method for a noninteger number of electrons
2005
·
Robert Balawender
, Paul Geerlings
·
The Journal of Chemical Physics
·
18
Structure Investigations of Dichloroaluminum Benzoates: An Unprecedented Example of a Monomeric Aluminum Complex with a Chelating Carboxylate Ligand
2009
·
Zbigniew Florjańczyk
, Wojciech Bury
, et al.
·
Inorganic Chemistry
·
16
Comment on “Legendre-transform functionals for spin-density-functional theory” [J. Chem. Phys. 124, 224108 (2006)]
2006
·
A. Holas
, R. Balawender
·
The Journal of Chemical Physics
·
16
PDF
Efficient synthesis of manganese( ii ) carboxylates: from a trinuclear cluster [Mn 3 (PhCO 2 ) 6 (THF) 4 ] to a unique [Mn(PhCO 2 ) 2 ] n chiral 3D network
2013
·
Arkadiusz Kornowicz
, Szymon Komorski
, et al.
·
Dalton Transactions
·
14
Comment on “Breakdown of the Hellmann-Feynman theorem: Degeneracy is the key”
2004
·
R. Balawender
, A. Holas
, et al.
·
Physical Review B
·
13
New Insights and Horizons from the Linear Response Function in Conceptual DFT
2019
·
Paul Geerlings
, Stijn Fias
, et al.
·
IntechOpen eBooks
·
12
PDF
Information and complexity measures in molecular reactivity studies
2014
·
Meressa A. Welearegay
, Robert Balawender
, et al.
·
Physical Chemistry Chemical Physics
·
11
Alchemical Derivatives of Atoms: A Walk Through the Periodic Table
2018
·
Robert Balawender
, Andrzej Holas
, et al.
·
Springer eBooks
·
5
Testing exchange–correlation functionals at fractional electron numbers
2014
·
Ali Malek
, Degao Peng
, et al.
·
Theoretical Chemistry Accounts
·
5
PDF
Thermodynamic extension of density-functional theory. II. Finite-temperature ensemble spin-density functional theory
2009
·
Balawender, Robert
, Holas, Andrzej
·
arXiv (Cornell University)
·
5
PDF
Thermodynamic extension of density-functional theory. I. Canonical Massieu-Planck function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix
2009
·
Robert Balawender
, A. Holas
·
arXiv (Cornell University)
·
5
The Nuclear Fukui Function
2002
·
P. Geerlings
, F. De Proft
, et al.
·
WORLD SCIENTIFIC eBooks
·
5
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Works count:
50
Citation count:
637
H-index:
16
I10-index:
20
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