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Journal of the American Chemical Society, ISSN 0002-7863, 01/2018, Volume 140, Issue 4, pp. 1313 - 1326
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 2018, Volume 24, Issue 40, pp. 10059 - 10063
...) is strictly correlated with the orbital topology (Möbius or Hückel) of their π‐HOMO, investigated computationally with DFT methods... 
orbital topology | magnetic properties | Möbius aromaticity | aromaticity | metallacycles | Mobius aromaticity | DELOCALIZATION | ORBITALS | TRANSITION-STATE | SHIFTS | CHEMISTRY, MULTIDISCIPLINARY | Molecular orbitals | Transition metals | Topology | Aromaticity | Organometallic compounds
Journal Article
Physical review letters, ISSN 1079-7114, 2018, Volume 121, Issue 5, p. 054801
We propose a twisted plasma accelerator capable of generating relativistic electron vortex beams with helical current profiles. The angular momentum of these... 
ORBITAL ANGULAR-MOMENTUM | GENERATION | PHYSICS, MULTIDISCIPLINARY | BEAMS | ELECTRON ACCELERATION | LIGHT | or physical chemistry | Chemical Physics | Accelerator Physics | Mechanics of materials | Mechanics | Chemical Sciences | Physics | Theoretical and
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 2016, Volume 22, Issue 17, pp. 6001 - 6011
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 02/2019, Volume 15, Issue 2, pp. 1079 - 1088
Although real space regions have been widely used in theoretical chemistry, not much effort has been devoted to treat them as open quantum systems. We embrace... 
ORDER | ELECTRON | ENTANGLEMENT | BONDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | REAL-SPACE | CHEMISTRY, PHYSICAL | ENERGY DECOMPOSITION SCHEME | ATOMS | Operators (mathematics) | Organic chemistry | Occupation | Orbitals | Quantum chemistry | Open systems | Entanglement | Electron distribution | Topology | Density | Subsystems | Distribution functions
Journal Article
Journal Article
The European Physical Journal A, ISSN 1434-6001, 7/2019, Volume 55, Issue 7, pp. 1 - 16
.... There also exist some arguments indicating that the nontrivial gluon topology would bring about a delta-function type singularity at zero Bjorken variable into the longitudinally polarized gluon... 
Nuclear Physics, Heavy Ions, Hadrons | Nuclear Fusion | Physics | Particle and Nuclear Physics | INELASTIC ELECTRON-SCATTERING | ORBITAL ANGULAR-MOMENTUM | CONTROVERSY | PARTON DISTRIBUTIONS | FIELD | LIGHT | PHYSICS, NUCLEAR | PHYSICS, PARTICLES & FIELDS | Analysis | Distribution (Probability theory)
Journal Article
Quimica Nova, ISSN 0100-4042, 06/2018, Volume 41, Issue 6, pp. 699 - 705
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 06/2015, Volume 91, Issue 21
The origin of the nematic state is an important puzzle to be solved in iron pnictides. Iron superconductors are multiorbital systems and these orbitals play an... 
TRANSITION | PHYSICS, CONDENSED MATTER | INPLANE RESISTIVITY ANISOTROPY | ARSENIDE SUPERCONDUCTOR | BAFE2AS2 | PARENT | STATE | CHARGE DYNAMICS | CA(FE1-XCOX)AS-2 | DETWINNED BA(FE1-XCOX)AS-2 | SCATTERING | Low energy | Orbitals | Condensed matter | Magnetic permeability | Pocket | Iron | Nematic | Symmetry | Physics - Superconductivity
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2018, Volume 122, Issue 3, pp. 849 - 858
We apply several modern quantum chemical topology (QCT) tools to explore the chemical bonding in well established beryllium bonds... 
EXISTENCE | TRANSPORT | HYDROGEN-BOND | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | REAL-SPACE | HYDROLYSIS | CHEMISTRY, PHYSICAL | ENERGY DECOMPOSITION SCHEME | ATOMS | ORBITALS | MOLECULES | Chemical bonds | Research | Quantum chemistry | Analysis | Light
Journal Article
Journal of Optics (United Kingdom), ISSN 2040-8978, 07/2016, Volume 18, Issue 7, pp. 75602 - 75609
Topological aspect of the geometric phase (GP) due to pure polarization projection is studied using the 2D Fourier transform (2D-FT) method. Projection of... 
Fourier transform method | optical angular momentum | geometric phase | topology | ORBITAL ANGULAR-MOMENTUM | FRINGE-PATTERN ANALYSIS | BEAMS | INTERFEROMETRY | OPTICS | Wave plates | Polarization | Fourier transforms | Phase transformations | Projection | Topology | Orientation | Two dimensional
Journal Article
Electrochimica Acta, ISSN 0013-4686, 03/2014, Volume 123, pp. 176 - 182
We report chosen electrochemical and spectroelectrochemical properties of two conductive polymers received from isomeric carbazole trimers of a kind mixed... 
Conducting polymers | Carbazole | Spectroelectrochemistry | Conjugation length | PATHWAYS | ELECTROCHEMISTRY | CONJUGATED POLYMERS | ANODIC-OXIDATION | MOBILITIES | Electrochemistry | Chemical properties | Polymers | Analysis | Carbazoles | Wavelengths | Emission | Molecular orbitals | Trimers | Conjugation | Monomers
Journal Article
Journal of the Serbian Chemical Society, ISSN 0352-5139, 2005, Volume 70, Issue 3, pp. 441 - 456
Journal Article
Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, 02/2016, Volume 400, pp. 73 - 80
.... The variation of the Fermi-surface topology plays a key role for the gap symmetry in BiS2-based superconductor... 
BiS2 | Extended s-wave | Fermi surface | d-wave | Superconductivity | BiS | NAXCOO2-CENTER-DOT-YHO | PHYSICS, CONDENSED MATTER | MATERIALS SCIENCE, MULTIDISCIPLINARY | ORBITAL FLUCTUATION | LAO1-XFXBIS2
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 10, pp. 7112 - 7124
We discuss the nature of electron-correlation effects in carbon nanorings and nanobelts by a combined approach based on FT-DFT and RAS-SF methods. We discuss... 
WAVE-FUNCTIONS | CONFIGURATION-INTERACTION | POLYRADICAL CHARACTER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION-ENERGY COMPONENT | CHEMISTRY, PHYSICAL | NONDYNAMIC CORRELATION | DENSITY-FUNCTIONAL THEORY | KOHN-SHAM METHOD | TOP PAIR DENSITY | ELECTRONIC-STRUCTURE | EXCITED-STATES | Oligomers | Carbon nanotubes | Organic chemistry | Electron density
Journal Article