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Physics Letters A, ISSN 0375-9601, 02/2017, Volume 381, Issue 5, pp. 422 - 427
The number of times spin appears in the Kronecker product of spin representations is computed, and the large asymptotic behavior of the result is obtained.... 
Kronecker product | Spin | Angular momentum | Asymptotic behavior | STRING MODELS | SYMMETRY | PHYSICS, MULTIDISCIPLINARY | QUANTUM ALGEBRAS | group representations
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 04/2018, Volume 118, Issue 8, pp. e25524 - n/a
The experimental synthesis of quintet [V(AIP)]2(μ‐C6H6) and septet [Cr(AIP)]2(μ‐C6H6) analogues provide a new strategy to produce high spin multiplicity by... 
low‐valent | sandwiches | spin multiplicity | organometallic | open‐shell singlet | low-valent | open-shell singlet
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2008, Volume 112, Issue 1, pp. 83 - 88
The geometrical structure and stability of neutral π-conjugated C4H4N· with three spin states were investigated by using ab initio and density functional... 
3RD-ORDER HYPERPOLARIZABILITIES | GAMMA | STATES | CONJUGATED SYSTEMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | 2ND HYPERPOLARIZABILITIES | DIRADICAL CHARACTER | Spin coupling | Research | Chemical properties | Observations | Pyrrole
Journal Article
Nuclear Inst. and Methods in Physics Research, A, ISSN 0168-9002, 2011, Volume 647, Issue 1, pp. 73 - 85
Journal Article
Computational and Theoretical Chemistry, ISSN 2210-271X, 02/2015, Volume 1053, pp. 189 - 194
We reexamine the full GVB (or spin-coupled) description of the bonding in the ground state of C at its equilibrium geometry, prompted by recent controversy as... 
Full GVB and spin-coupled | Spin correlation matrices | Domain-averaged Fermi holes | QTAIM-generalized Wiberg–Mayer index | Bond multiplicity in C2 | QTAIM-generalized Wiberg-Mayer index | Bond multiplicity in C
Journal Article
Journal of Organic Chemistry, ISSN 0022-3263, 06/2019, Volume 84, Issue 12, pp. 7685 - 7693
Many fundamental properties of carbenes, particularly basicity, remain poorly understood. Herein, an experimental and computational examination of the... 
INTRINSIC REACTIVITY | FORBIDDEN PROTON-TRANSFER | AFFINITY | ABSOLUTE HEATS | LASER | SPIN-STATE | SET MODEL CHEMISTRY | CHEMISTRY, ORGANIC | HARTREE-FOCK | MASS-SPECTROMETRY | ACIDITY
Journal Article
COMPUTATIONAL AND THEORETICAL CHEMISTRY, ISSN 2210-271X, 02/2015, Volume 1053, pp. 189 - 194
We reexamine the full GVB (or spin-coupled) description of the bonding in the ground state of C-2 at its equilibrium geometry, prompted by recent controversy... 
Bond multiplicity in C-2 | CHEMISTRY, PHYSICAL | SPIN-COUPLED METHOD | Spin correlation matrices | WAVE-FUNCTIONS | QTAIM-generalized Wiberg-Mayer index | 3 VIEWS | Full GVB and spin-coupled | 2 ATOMS | OPTIMIZATION | MANY-ELECTRON SYSTEMS | Domain-averaged Fermi holes | IMPROVED QUANTUM-THEORY | ONE MOLECULE | TRANSFORMATIONS | INSIGHTS
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 11/2018, Volume 204, pp. 362 - 369
We investigated the reactivity of carbon monoxide on tetrahedral Ni clusters at different spin multiplicity applying density functional theory calculations... 
Spin multiplicity | DFT | Dissociation | Adsorption | Co adsorption
Journal Article
Mathematische Zeitschrift, ISSN 0025-5874, 10/2016, Volume 284, Issue 1-2, pp. 285 - 307
In this article, we prove that on any compact spin manifold of dimension , there exists a metric, for which the associated Dirac operator has at least one... 
Dirac spectrum | Prescribing eigenvalues | Spectral geometry | Dirac operator | Spin geometry | Surgery theory | LAPLACIAN | SURGERY | MATHEMATICS | OPERATOR | PRESCRIPTION | SPECTRUM | Mathematics - Differential Geometry
Journal Article
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, ISSN 1386-1425, 11/2018, Volume 204, pp. 362 - 369
We investigated the reactivity of carbon monoxide on tetrahedral Ni-4 clusters at different spin multiplicity applying density functional theory calculations... 
CATALYTIC GROWTH | Spin multiplicity | DFT | HYDROGEN-RICH GAS | Adsorption | IONIZATION-POTENTIALS | NICKEL CLUSTERS | METHANATION | SPECTROSCOPY | CARBON-MONOXIDE | NANOTUBES | Dissociation | DENSITY-FUNCTIONAL THEORY | Co adsorption
Journal Article
JETP Letters, ISSN 0021-3640, 7/2016, Volume 104, Issue 1, pp. 6 - 11
We study the influence of the meson cloud of the nucleon on predictions of the Monte Carlo Glauber model for the charged particle multiplicity density at... 
Solid State Physics | Quantum Information Technology, Spintronics | Atomic, Molecular, Optical and Plasma Physics | Biological and Medical Physics, Biophysics | Physics | Particle and Nuclear Physics | PP | QCD | NUCLEI | SPIN | PHYSICS, MULTIDISCIPLINARY | LHC | PROTON | QUARK | MODEL | INITIAL-STATE SIMULATION | Analysis | Collisions (Nuclear physics)
Journal Article
Dalton Transactions, ISSN 1477-9226, 11/2012, Volume 41, Issue 44, pp. 13656 - 13667
The microcrystalline sample of a parent complex, [CoCl2(py)(4)], showed a single-molecule magnet (SMM) behavior with an effective activation barrier,... 
IRRADIATION | DESIGN | PHOTOPRODUCTS | SYMMETRY | SPIN COBALT(II) COMPLEXES | PHOTOCHEMICAL FORMATION | CRYSTAL-STRUCTURES | CHAINS | ANISOTROPY | GROUND-STATES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
by Liu, NN and Wang, J
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, 04/2018, Volume 118, Issue 8
The experimental synthesis of quintet [V(AIP)](2)(-C6H6) and septet [Cr(AIP)](2)(-C6H6) analogues provide a new strategy to produce high spin multiplicity by... 
ANTIAROMATICITY | CYCLOBUTADIENE | TRANSITION-METAL-COMPLEXES | APPROXIMATION | open-shell singlet | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | sandwiches | organometallic | MOLECULES | low-valent | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | SIMILARITIES | spin multiplicity | LIGAND | BOND | EXCHANGE | ELECTRONIC-STRUCTURE
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/2010, Volume 114, Issue 37, pp. 10315 - 10319
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 10/2014, Volume 118, Issue 41, pp. 23937 - 23945
Using the M06-2X density functional theory, unusual manipulative effects of spin multiplicity and excess electron number on the structure and static first... 
DENSITY FUNCTIONALS | GRAPHENE NANORIBBON | LITHIUM SALT | MATERIALS SCIENCE, MULTIDISCIPLINARY | AB-INITIO | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | 2ND HYPERPOLARIZABILITIES | STATIC 1ST HYPERPOLARIZABILITIES | RADICAL SYSTEMS | NLO RESPONSES | DIRADICAL CHARACTER
Journal Article
The European Physical Journal A, ISSN 1434-6001, 11/2016, Volume 52, Issue 11, pp. 1 - 8
Statistical model analysis has been performed for the available neutron multiplicity ( $\nu_{pre}$ ν p r e data in the literature. Larger $\nu_{pre}$ ν p r e... 
Nuclear Physics, Heavy Ions, Hadrons | Nuclear Fusion | Physics | Particle and Nuclear Physics | FUSION-FISSION | PARTICLE-EMISSION | SPIN DISTRIBUTION | DYNAMICS | PHYSICS, NUCLEAR | ION-INDUCED FISSION | DIFFUSION PROCESS | NUCLEAR FRICTION | FRAGMENT ANGULAR-DISTRIBUTIONS | FISSION TIME SCALES | EXCITATION-FUNCTIONS | PHYSICS, PARTICLES & FIELDS
Journal Article
Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, ISSN 0376-4710, 07/2017, Volume 56A, Issue 7, pp. 756 - 766
Journal Article
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