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Tris(dicyclohexylammonium) hydrogen [1-hydroxy-2-(1H-imidazol-1-yl)-1- phosphonatoethane]phosphonate ethanol monosolvate monohydrate
Sarkar, Anindita
;
Cukrowski, Ignacy
(
International Union of Crystallography
,
2011-10
)
Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme
De Lange, Jurgens Hendrik
;
Cukrowski, Ignacy
(
Wiley
,
2017-05
)
Structural-topological preferences and protonation sequence of aliphatic polyamines : a theoretical case study of tetramine trien
Adeyinka, Adedapo S.
;
Cukrowski, Ignacy
(
Springer
,
2015-06
)
Solvent-directed regioselective benzylation of adenine : characterization of N9-benzyladenine and N3-benzyladenine
Buyens, Dominique M.S.
;
Mangondo, Paidamwoyo
;
Cukrowski, Ignacy
;
Pilcher, Lynne A.
(
Wiley
,
2017-09
)
Reliability of interacting quantum atoms (IQA) data computed from post-HF densities : impact of the approximation used
Cukrowski, Ignacy
;
Polestshuk, Pavel M.
(
Royal Society of Chemistry
,
2017-05
)
Reliability of HF/IQA, B3LYP/IQA, and MP2/IQA data in interpreting the nature and strength of interactions
Cukrowski, Ignacy
(
Royal Society of Chemistry
,
2019-02
)
Quantifying individual (anti)bonding molecular orbitals' contributions to chemical bonding
De Lange, Jurgens Hendrik
;
Van Niekerk, D.M.E. (Daniel)
;
Cukrowski, Ignacy
(
Royal Society
,
2019-09
)
Protonation sequence of linear aliphatic polyamines from intramolecular atomic energies and charges
Cukrowski, Ignacy
;
Matta, Cherif F.
(
2011-06
)
Physico–chemical modelling of adlayer phase formation via surface–limited reactions of copper in relation to sequential electrodeposition of multilayered platinum on crystalline gold
Mkwizu, Tumaini S.
;
Cukrowski, Ignacy
(
Elsevier
,
2014-11
)
Physical nature of interactions in ZnII complexes with 2,2′-bipyridyl : quantum theory of atoms in molecules (QTAIM), interacting quantum atoms (IQA), noncovalent interactions (NCI), and extended transition state coupled with natural orbitals for chemical valence (ETS-NOCV) comparative studies
Cukrowski, Ignacy
;
De Lange, Jurgens Hendrik
;
Mitoraj, Mariusz Pawel
(
American Chemical Society
,
2014-01
)
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Cukrowski, Ignacy (40)
De Lange, Jurgens Hendrik (8)
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Computational chemistry (6)
Interacting quantum atoms (IQA) (6)
Bond path (4)
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Fragment attributed molecular system energy change (FAMSEC) (4)
Quantum theory of atoms in molecules (QTAIM) (4)
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