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Angewandte Chemie International Edition, ISSN 1433-7851, 11/2008, Volume 47, Issue 47, pp. 9115 - 9117
Cobalt together: The iron and cobalt analogues of the quintuple‐bonded chromium species [Ar′CrCrAr′] (Ar′=C6H3‐2,6‐(2,6‐iPr2C6H3)2) are described and their... 
density functional calculations | iron | cobalt | structure elucidation | metal–metal interactions | Density functional calculations | Iron | Cobalt | Structure elucidation | Metal-metal interactions | metal-metal interactions | BENZENE COMPLEXES | TERPHENYL | CENTERS | CHEMISTRY, MULTIDISCIPLINARY | ARENE | BENT | TRANSITION-METAL | LIGAND
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2018, Volume 24, Issue 63, pp. 16919 - 16924
Stable phenalenyl (PLY) radical π‐dimers still play an important role for new multifunctional materials owing to their intriguing molecular structure and... 
biphenalenyl biradicaloids | bonding orbitals | two parallel π–π bonding | short interlayer distances | stability | Interlayers | Multifunctional materials | Aromaticity | Molecular structure | Benzene | Bonding strength | Molecular orbitals | Dimers | Bonding | Monomers | Covalent bonds
Journal Article
Angewandte Chemie. International Edition, ISSN 1433-7851, 2013, Volume 52, Issue 19, pp. 5180 - 5183
The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which... 
tunneling | ab initio calculations | noncovalent interactions | rotational spectroscopy | internal rotation | CONSTANTS | RESONANCE SPECTROSCOPY | TRANSFORM MICROWAVE SPECTROMETER | CHEMISTRY, MULTIDISCIPLINARY | Lasers | Benzene | Origins | Splitting | Dynamics | Tunneling | Tilt | Dimers | Rotational
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/2012, Volume 134, Issue 19, pp. 8062 - 8065
We suggest four new benzene dimers, (C6H6)2, all featuring one or more cyclohexadiene rings trans-fused to 4- or 6-membered rings. These hypothetical dimers... 
CHEMISTRY | CHEMISTRY, MULTIDISCIPLINARY | Ring-opening polymerization | Chemical properties | Diels-Alder reaction | Benzene | Analysis | Cyclohexane
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2013, Volume 139, Issue 20, p. 201102
Establishing the relative orientation of the two benzene molecules in the dimer has remained an enigmatic challenge. Consensus has narrowed the choice of... 
MOLECULAR-DYNAMICS | SPECTROSCOPY | DETAILS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | AROMATIC INTERACTIONS | RAMAN | Hydrocarbons | Molecular dynamics | Dimers | Benzene | Free energy
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2010, Volume 12, Issue 23, pp. 5974 - 5979
The set of interaction energies for 22 systems of biological importance, developed by Jurecka et al. [Phys. Chem. Chem. Phys., 2006, 8, 1985] and called S22,... 
DENSITY FUNCTIONALS | BENZENE DIMER | THERMOCHEMICAL KINETICS | CLUSTERS | DATABASE | CONSISTENT BASIS-SETS | DISPERSION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CONVERGENCE | CCSD(T) | ACCURACY | Thermodynamics | Algorithms | Hydrogen Bonding | Dimerization | Electrons
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2014, Volume 140, Issue 22, p. 227101
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 09/2006, Volume 110, Issue 37, pp. 10656 - 10668
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2015, Volume 142, Issue 19, p. 191102
Dimer radical cations of aromatic and polycyclic aromatic molecules are good model systems for a fundamental understanding of photoconductivity and... 
Potential energy | Naphthalene | Organic materials | Benzene | Ionic mobility | Hydrocarbons | Cations | Dimers | Ferromagnetism | Photoconductivity | Isomers
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 11/2004, Volume 108, Issue 46, pp. 10200 - 10207
State-of-the-art electronic structure theory has been applied to generate potential energy curves for the sandwich, T-shaped, and parallel-displaced... 
PI-PI-INTERACTIONS | QUANTUM-CHEMISTRY | MECHANISM | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | SURFACE | CHEMISTRY, PHYSICAL | FORCE-FIELD | DENSITY-FUNCTIONAL THEORY | VAN-DER-WAALS | Research | Chemistry, Physical and theoretical | Benzene | Electric properties
Journal Article
Molecular Physics: Special issue in honour of Debashis Mukherjee, ISSN 0026-8976, 11/2017, Volume 115, Issue 21-22, pp. 2637 - 2648
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2008, Volume 10, Issue 19, pp. 2735 - 2746
Dimers of several polycyclic aromatic hydrocarbons (PAHs): naphthalene, anthracene and pyrene have been investigated by symmetry-adapted perturbation theory... 
DER-WAALS COMPLEXES | BENZENE DIMER | DISPERSION ENERGIES | NAPHTHALENE DIMERS | INTERMOLECULAR INTERACTION ENERGIES | AB-INITIO | ELECTRONIC-SPECTRA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | BINDING-ENERGIES | ADAPTED PERTURBATION-THEORY
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 07/2011, Volume 51, Issue 7, pp. 1623 - 1633
Journal Article