| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative study on seniority-based MO and VB calculations of the singlet and triplet energy gaps of open-shell molecules
|
Zhou, Chen
|
|
2017
|
1116 |
C |
p. 86-91
|
artikel
|
| 2 |
A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states
|
Racine, Julien
|
|
2017
|
1116 |
C |
p. 184-189
|
artikel
|
| 3 |
A personal story on a renaissance in valence bond theory: A theory coming of age!
|
Shaik, Sason
|
|
2017
|
1116 |
C |
p. 2-31
|
artikel
|
| 4 |
A possible valence-bond approach to symmetry-adapted perturbation theory
|
Reinhardt, P.
|
|
2017
|
1116 |
C |
p. 174-183
|
artikel
|
| 5 |
Applying group functions to description of ionic liquids
|
Popov, Ilya V.
|
|
2017
|
1116 |
C |
p. 141-150
|
artikel
|
| 6 |
A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission
|
Wibowo, Meilani
|
|
2017
|
1116 |
C |
p. 190-194
|
artikel
|
| 7 |
Assessing the performance of ab initio classical valence bond methods for hydrogen transfer reactions
|
Karach, Itay
|
|
2017
|
1116 |
C |
p. 234-241
|
artikel
|
| 8 |
A valence bond theory treatment of tetrel bonding interactions
|
Laconsay, Croix J.
|
|
2017
|
1116 |
C |
p. 202-206
|
artikel
|
| 9 |
Bonding in B2 and B2 +: Insights from full configuration interaction and valence bond studies
|
Rashid, Zahid
|
|
2017
|
1116 |
C |
p. 92-95
|
artikel
|
| 10 |
Chemical bonding in the pentagonal-pyramidal benzene dication and analogous isoelectronic hexa-coordinate species
|
Fantuzzi, Felipe
|
|
2017
|
1116 |
C |
p. 225-233
|
artikel
|
| 11 |
Comparing hydroxide and hydronium at the instantaneous air-water interface using polarizable multi-state empirical valence bond models
|
Wick, Collin D.
|
|
2017
|
1116 |
C |
p. 64-72
|
artikel
|
| 12 |
Editorial Board
|
|
|
2017
|
1116 |
C |
p. IFC
|
artikel
|
| 13 |
Effective valence-bond theory for strongly correlated systems
|
Lepetit, Marie-Bernadette
|
|
2017
|
1116 |
C |
p. 59-63
|
artikel
|
| 14 |
π-electron content of rings in polycyclic conjugated compounds – A valence bond based measure of local aromaticity
|
Radenković, Slavko
|
|
2017
|
1116 |
C |
p. 163-173
|
artikel
|
| 15 |
Elementary SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation
|
Jug, Urška
|
|
2017
|
1116 |
C |
p. 96-101
|
artikel
|
| 16 |
High level ab initio calculations on ClF n − (n =1–6): Recoupled pair bonding involving a closed-shell central ion
|
Chen, Lina
|
|
2017
|
1116 |
C |
p. 73-85
|
artikel
|
| 17 |
Localized electron wave packet description of chemical bond and excitation: Floating and breathing Gaussian with valence-bond coupling
|
Ando, Koji
|
|
2017
|
1116 |
C |
p. 159-162
|
artikel
|
| 18 |
Lowest energy states of Hubbard ladder model with infinite electron repulsion
|
Cheranovskii, V.O.
|
|
2017
|
1116 |
C |
p. 112-116
|
artikel
|
| 19 |
Modern valence-bond descriptions of polycyclic fused aromatic compounds involving cyclopropenyl rings
|
Karadakov, Peter B.
|
|
2017
|
1116 |
C |
p. 32-39
|
artikel
|
| 20 |
On the performance of generalized valence bond theory in predicting magnetic exchange coupling constant in organic diradicals: A comparison with Hartree-Fock theory
|
Sarkar, Sudip
|
|
2017
|
1116 |
C |
p. 220-224
|
artikel
|
| 21 |
Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects
|
Giner, E.
|
|
2017
|
1116 |
C |
p. 134-140
|
artikel
|
| 22 |
OVB analysis of symmetry allowed and symmetry forbidden chemical reactions
|
Sax, Alexander F.
|
|
2017
|
1116 |
C |
p. 117-133
|
artikel
|
| 23 |
Preface
|
Braïda, Benoît
|
|
2017
|
1116 |
C |
p. 1
|
artikel
|
| 24 |
Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices
|
Cooper, David L.
|
|
2017
|
1116 |
C |
p. 40-49
|
artikel
|
| 25 |
Strategies for extending geminal-based wavefunctions: Open shells and beyond
|
Johnson, Paul A.
|
|
2017
|
1116 |
C |
p. 207-219
|
artikel
|
| 26 |
Strongly localized approaches for delocalized systems. I. Ground state of linear polyenes
|
Tenti, Lorenzo
|
|
2017
|
1116 |
C |
p. 102-111
|
artikel
|
| 27 |
Study of proton-coupled electron transfer (PCET) with four explicit diabatic states at the ab initio level
|
Zhang, Huaiyu
|
|
2017
|
1116 |
C |
p. 50-58
|
artikel
|
| 28 |
The nature of bonding in metal-metal singly bonded coinage metal dimers: Cu2, Ag2 and Au2
|
Radenković, Slavko
|
|
2017
|
1116 |
C |
p. 195-201
|
artikel
|
| 29 |
To hybridize or not to hybridize? This is the dilemma
|
Shaik, Sason
|
|
2017
|
1116 |
C |
p. 242-249
|
artikel
|
| 30 |
Tuning spin gap in anthracene and tetracene for singlet fission: An exact PPP model study in the VB basis
|
Pati, Y.A.
|
|
2017
|
1116 |
C |
p. 151-158
|
artikel
|
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