| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An energy partition method based on localized molecular orbitals
|
Francisco, Evelio
|
|
2015
|
1053 |
C |
p. 77-84
8 p.
|
artikel
|
| 2 |
A problematic issue for atoms in molecules: Impact of (quasi-)degenerate states on Quantum Theory Atoms in Molecules and Hirshfeld-I properties
|
Bultinck, Patrick
|
|
2015
|
1053 |
C |
p. 106-111
6 p.
|
artikel
|
| 3 |
Atomic energy analysis of cooperativity, anti-cooperativity, and non-cooperativity in small clusters of methanol, water, and formaldehyde
|
Albrecht, Laura
|
|
2015
|
1053 |
C |
p. 328-336
9 p.
|
artikel
|
| 4 |
A view of covalent and ionic bonding from Maximum Probability Domains
|
Menéndez, M.
|
|
2015
|
1053 |
C |
p. 142-149
8 p.
|
artikel
|
| 5 |
Bond metallicity measures
|
Ayers, Paul W.
|
|
2015
|
1053 |
C |
p. 112-122
11 p.
|
artikel
|
| 6 |
Chemical bonding and surface interactions in Bi2Se3 and Bi4Se3
|
Christian, Matthew S.
|
|
2015
|
1053 |
C |
p. 238-244
7 p.
|
artikel
|
| 7 |
Chemical structure and reactivity by means of quantum chemical topology analysis
|
Andrés, Juan
|
|
2015
|
1053 |
C |
p. 17-30
14 p.
|
artikel
|
| 8 |
Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory
|
Chávez-Calvillo, Rodrigo
|
|
2015
|
1053 |
C |
p. 90-95
6 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
2015
|
1053 |
C |
p. IFC-
1 p.
|
artikel
|
| 10 |
Electron density analysis of aromatic complexes in excited electronic states: The benzene and naphthalene excimers
|
Jara-Cortés, Jesús
|
|
2015
|
1053 |
C |
p. 220-228
9 p.
|
artikel
|
| 11 |
Electron Localization Function and Maximum Probability Domains analysis of semi-ionic oxides crystals, surfaces and surface defects
|
Causà, Mauro
|
|
2015
|
1053 |
C |
p. 315-321
7 p.
|
artikel
|
| 12 |
Energetics of non-covalent interactions from electron and energy density distributions
|
Saleh, Gabriele
|
|
2015
|
1053 |
C |
p. 53-59
7 p.
|
artikel
|
| 13 |
Evaluating common QTAIM and NCI interpretations of the electron density concentration through IQA interaction energies and 1D cross-sections of the electron and deformation density distributions
|
Cukrowski, Ignacy
|
|
2015
|
1053 |
C |
p. 60-76
17 p.
|
artikel
|
| 14 |
Exploring the versatility of the g CH topological electronegativity estimator
|
Ferro-Costas, David
|
|
2015
|
1053 |
C |
p. 85-89
5 p.
|
artikel
|
| 15 |
Halogen–halogen interactions in perhalogenated ethanes: An interacting quantum atoms study
|
Yahia-Ouahmed, Meziane
|
|
2015
|
1053 |
C |
p. 254-262
9 p.
|
artikel
|
| 16 |
In search of an intrinsic chemical bond
|
Morgenstern, Amanda
|
|
2015
|
1053 |
C |
p. 31-37
7 p.
|
artikel
|
| 17 |
Insights into some Diels–Alder cycloadditions via the electrostatic potential and the reaction force constant
|
Murray, Jane S.
|
|
2015
|
1053 |
C |
p. 270-280
11 p.
|
artikel
|
| 18 |
Intervalence charge transfer across noncovalent interactions on vinyl silyl bridged biferrocenyl compounds
|
Montero-Campillo, M. Merced
|
|
2015
|
1053 |
C |
p. 281-288
8 p.
|
artikel
|
| 19 |
Lewis acid–Lewis base interactions: From NFH3 +⋯NCH and NF4 +⋯NCH complexes to NFH3 +⋯(NCH) n and NF4 +⋯(NCH) n clusters
|
Grabowski, Sławomir J.
|
|
2015
|
1053 |
C |
p. 289-297
9 p.
|
artikel
|
| 20 |
Mapping the complete bonding network in KBH4 using the combined power of powder diffraction and maximum entropy method
|
Bindzus, Niels
|
|
2015
|
1053 |
C |
p. 245-253
9 p.
|
artikel
|
| 21 |
Molecular graphs of Li n , Na n and Cu n (n =6–9) clusters from the density and the molecular electrostatic potential
|
Geudtner, Gerald
|
|
2015
|
1053 |
C |
p. 337-342
6 p.
|
artikel
|
| 22 |
More insight in multiple bonding with valence bond theory
|
Hendrickx, K.
|
|
2015
|
1053 |
C |
p. 180-188
9 p.
|
artikel
|
| 23 |
NCI analysis of the interaction cation⋯π in complexes with molecular bowls derived from fullerene
|
González-Veloso, Iván
|
|
2015
|
1053 |
C |
p. 123-129
7 p.
|
artikel
|
| 24 |
On the multiple BO bonding using the topological analysis of Electron Localisation Function (ELF)
|
Mierzwa, Grzegorz
|
|
2015
|
1053 |
C |
p. 130-141
12 p.
|
artikel
|
| 25 |
Preface to the Special Issue on “Understanding structure and reactivity from topology and beyond”
|
Pendás, Ángel Martín
|
|
2015
|
1053 |
C |
p. 1-
1 p.
|
artikel
|
| 26 |
Relationships between charge density response functions, exchange holes and localized orbitals
|
Mussard, Bastien
|
|
2015
|
1053 |
C |
p. 44-52
9 p.
|
artikel
|
| 27 |
Resonance assisted electron transport in oligophenyl conductors
|
Ramos-Berdullas, Nicolás
|
|
2015
|
1053 |
C |
p. 263-269
7 p.
|
artikel
|
| 28 |
Scale-invariance of the topological equations of the density per particle
|
Bohórquez, Hugo J.
|
|
2015
|
1053 |
C |
p. 38-43
6 p.
|
artikel
|
| 29 |
Scrutinizing ion-π and ion-σ interactions using the noncovalent index and energy decomposition analysis
|
Alonso, Mercedes
|
|
2015
|
1053 |
C |
p. 150-164
15 p.
|
artikel
|
| 30 |
Six questions on topology in theoretical chemistry
|
Ayers, Paul L.
|
|
2015
|
1053 |
C |
p. 2-16
15 p.
|
artikel
|
| 31 |
Stilbene photoisomerization driving force as revealed by the topology of the electron density and QTAIM properties
|
Gutiérrez-Arzaluz, Luis
|
|
2015
|
1053 |
C |
p. 214-219
6 p.
|
artikel
|
| 32 |
Structure and bonding in binuclear metal carbonyls. Classical paradigms vs. insights from modern theoretical calculations
|
Ponec, Robert
|
|
2015
|
1053 |
C |
p. 195-213
19 p.
|
artikel
|
| 33 |
Theoretical study of cyanophosphines: Pnicogen vs. dipole–dipole interactions
|
Sánchez-Sanz, Goar
|
|
2015
|
1053 |
C |
p. 305-314
10 p.
|
artikel
|
| 34 |
The polarizability of organometallic bonds
|
Macchi, Piero
|
|
2015
|
1053 |
C |
p. 165-172
8 p.
|
artikel
|
| 35 |
The role of dispersion forces in metal-supported self-assembled monolayers
|
Boto, Roberto A.
|
|
2015
|
1053 |
C |
p. 322-327
6 p.
|
artikel
|
| 36 |
Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices
|
Feixas, Ferran
|
|
2015
|
1053 |
C |
p. 173-179
7 p.
|
artikel
|
| 37 |
Topological and AIM analyses beyond the Born–Oppenheimer paradigm: New opportunities
|
Goli, Mohammad
|
|
2015
|
1053 |
C |
p. 96-105
10 p.
|
artikel
|
| 38 |
Understanding the bifurcated halogen bonding N⋯Hal⋯N in bidentate diazaheterocyclic compounds
|
Bartashevich, Ekaterina
|
|
2015
|
1053 |
C |
p. 229-237
9 p.
|
artikel
|
| 39 |
Where does charge reside in amino acids? The effect of side-chain protonation state on the atomic charges of Asp, Glu, Lys, His and Arg
|
Hughes, Timothy J.
|
|
2015
|
1053 |
C |
p. 298-304
7 p.
|
artikel
|
| 40 |
Why is the bond multiplicity in C2 so elusive?
|
Cooper, David L.
|
|
2015
|
1053 |
C |
p. 189-194
6 p.
|
artikel
|
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