Orientational preference of long, multicenter bonds in radical anion dimers: a case study of π-[TCNB]2 (2-) and π-[TCNP]2 (2.). (Q41332188)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

title

Orientational preference of long, multicenter bonds in radical anion dimers: a case study of π-[TCNB]2 (2-) and π-[TCNP]2 (2.). (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

multicenter clinical trial

1 March 2020

main subject

0 references

author

Marçal Capdevila-Cortada

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

Juan J Novoa

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

2

Joel S Miller

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

language of work or name

English

0 references

publication date

26 February 2015

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

Chemistry—A European Journal

1 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

volume

21

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

issue

17

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

1 March 2020

page(s)

6420-6432

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25727499 AND SRC:MED&resulttype=core&format=json

Magnetically ordered molecule-based materials

1 March 2020

cites work

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Oxidation of TTF derivatives using (diacetoxyiodo)benzene: a general chemical route toward cation radicals, dications, and nonstoichiometric salts

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Exceptionally Long (> or =2.9 A) CC bonding interactions in pi-[TCNE]2(2-) dimers: two-electron four-center cation-mediated CC bonding interactions involving pi* electrons

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Cation-cation pi-pi stacking in small ionic clusters of 1,2,4-triazolium

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Comparative analysis of the multicenter, long bond in [TCNE]*- and phenalenyl radical dimers: a unified description of multicenter, long bonds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Dimeric phenalenyl-based neutral radical molecular conductors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Bonds or not bonds? Pancake bonding in 1,2,3,5-dithiadiazolyl and 1,2,3,5-diselenadiazolyl radical dimers and their derivatives

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Intermolecular pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Steric modulations in the reversible dimerizations of phenalenyl radicals via unusually weak carbon-centered pi- and sigma-bonds

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Stable (Long-Bonded) Dimers via the Quantitative Self-Association of Different Cationic, Anionic, and Uncharged π-Radicals: Structures, Energetics, and Optical Transitions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Molecular and electronic structures of the long-bonded pi-dimers of tetrathiafulvalene cation-radical in intermolecular electron transfer and in (solid-state) conductivity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The maximin principle of pi-radical packings.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The tetracyanopyrazinide dimer dianion, [TCNP]2(2-). 2-Electron 8-center bonding.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Tetracyanoethylene (TCNE): the characteristic geometries and vibrational absorptions of its numerous structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Vanadium 7,7,8,8-tetracyano-p-quinodimethane (V[TCNQ]2)-based magnets

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Magnetically ordered (Tc= 200 K) bis(tetracyanopyrazine)vanadium, V[TCNP]2.yCH2Cl2.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

General atomic and molecular electronic structure system

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The nature of .pi.-.pi. interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Theoretical analysis of the electronic structure and bonding stability of the TCNE dimer dianion (TCNE) 2 2-.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Classical electrostatics in biology and chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Unusually Long, Multicenter, Cationδ ⋅⋅⋅Anionδ− Bonding Observed for Several Polymorphs of [TTF][TCNE]

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Assessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical Ions

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

The Origin of the Room-Temperature Stability of [TTF]. ⋅⋅⋅[TTF]. Long, Multicenter Bonds Found in Functionalized π-[R-TTF]22 Dimers Included in the Cucurbit[8]uril Cavity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

21 January 2018

1 reference

https://api.crossref.org/works/10.1002/CHEM.201406028