| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study of novel MF3H2 and MF3H2⋯Y clusters (M=Li; Y=OH2, OH(CH3), O(CH3)2, NCH and NH3) or (M=Na, K; Y=NCH)
|
McDowell, Sean A.C.
|
|
2012
|
998 |
C |
p. 14-19
6 p.
|
artikel
|
| 2 |
Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants
|
Provasi, Patricio F.
|
|
2012
|
998 |
C |
p. 98-105
8 p.
|
artikel
|
| 3 |
Aromaticity of heptafulvene charge transfer complexes with lithium and caesium atoms: A computational approach
|
Oziminski, Wojciech P.
|
|
2012
|
998 |
C |
p. 46-50
5 p.
|
artikel
|
| 4 |
Cation–π vs. π–π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems
|
Kelly, Brendan
|
|
2012
|
998 |
C |
p. 64-73
10 p.
|
artikel
|
| 5 |
Computational study of short-range interactions in bacteriochlorophyll aggregates
|
Alster, J.
|
|
2012
|
998 |
C |
p. 87-97
11 p.
|
artikel
|
| 6 |
Computational study on interaction energy changes during double proton transfer process
|
Smaga, Artur
|
|
2012
|
998 |
C |
p. 120-128
9 p.
|
artikel
|
| 7 |
Cooperative and diminutive interplay between the hydrogen bonding and halogen bonding in ternary complexes of HCCX (X=Cl, Br) with HCN and HNC
|
Solimannejad, Mohammad
|
|
2012
|
998 |
C |
p. 34-38
5 p.
|
artikel
|
| 8 |
Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond
|
Hugas, D.
|
|
2012
|
998 |
C |
p. 113-119
7 p.
|
artikel
|
| 9 |
Dimers and trimers of formamidine and its mono-halogenated analogues HNCHNHX, (X=H, Cl, Br, or I): A comparative study of resonance-assisted hydrogen and halogen bonds
|
Parra, Ruben D.
|
|
2012
|
998 |
C |
p. 183-192
10 p.
|
artikel
|
| 10 |
Editorial Board
|
|
|
2012
|
998 |
C |
p. IFC-
1 p.
|
artikel
|
| 11 |
Extrapolation to the complete basis set limit for binding energies of noncovalent interactions
|
Scheiner, Steve
|
|
2012
|
998 |
C |
p. 9-13
5 p.
|
artikel
|
| 12 |
Fullerene based endohedral metallocenes
|
Ravinder, P.
|
|
2012
|
998 |
C |
p. 106-112
7 p.
|
artikel
|
| 13 |
Halogen bond, hydrogen bond and N⋯C interaction – On interrelation among these three noncovalent interactions
|
Domagała, Małgorzata
|
|
2012
|
998 |
C |
p. 26-33
8 p.
|
artikel
|
| 14 |
Hydrogen–deuterium exchange in hydride chemistry: Dihydrogen bonded complexes as key intermediates
|
Filippov, Oleg A.
|
|
2012
|
998 |
C |
p. 129-140
12 p.
|
artikel
|
| 15 |
In search of active RGD peptides: Theoretical study of hydrogen bonding in five-member ring cyclic-RGD isomers
|
Enwerem, Isioma
|
|
2012
|
998 |
C |
p. 141-147
7 p.
|
artikel
|
| 16 |
Interplay between dihydrogen and alkali–halogen bonds: Is there some covalency upon complexation of ternary systems?
|
Oliveira, Boaz G.
|
|
2012
|
998 |
C |
p. 173-182
10 p.
|
artikel
|
| 17 |
Interplay between ion–π and Ar/π Van der Waals interactions
|
Quiñonero, David
|
|
2012
|
998 |
C |
p. 51-56
6 p.
|
artikel
|
| 18 |
Ionic interactions: Comparative topological approach
|
Contreras-García, Julia
|
|
2012
|
998 |
C |
p. 193-201
9 p.
|
artikel
|
| 19 |
Non-covalent interactions
|
Alkorta, Ibon
|
|
2012
|
998 |
C |
p. 1-
1 p.
|
artikel
|
| 20 |
Non-covalent interaction via the reduced density gradient: Independent atom model vs experimental multipolar electron densities
|
Saleh, Gabriele
|
|
2012
|
998 |
C |
p. 148-163
16 p.
|
artikel
|
| 21 |
On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses
|
Duarte, Darío J.R.
|
|
2012
|
998 |
C |
p. 164-172
9 p.
|
artikel
|
| 22 |
Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)
|
Politzer, Peter
|
|
2012
|
998 |
C |
p. 2-8
7 p.
|
artikel
|
| 23 |
Solvent effects on hydrogen bonds in Watson–Crick, mismatched, and modified DNA base pairs
|
Poater, Jordi
|
|
2012
|
998 |
C |
p. 57-63
7 p.
|
artikel
|
| 24 |
Stabilizing effect of solvent and guest residue amino acids on a model alpha-helix peptide
|
Albrecht, Laura
|
|
2012
|
998 |
C |
p. 80-86
7 p.
|
artikel
|
| 25 |
The importance of deformation on the strength of beryllium bonds
|
Martín-Sómer, Ana
|
|
2012
|
998 |
C |
p. 74-79
6 p.
|
artikel
|
| 26 |
Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones
|
Bauzá, Antonio
|
|
2012
|
998 |
C |
p. 20-25
6 p.
|
artikel
|
| 27 |
Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond
|
Jabłoński, Mirosław
|
|
2012
|
998 |
C |
p. 39-45
7 p.
|
artikel
|
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