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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 07/2014, Volume 128, pp. 370 - 376
A long-range-corrected time-dependent density functional theory (LC-TDDFT) in combination with polarizable continuum model (PCM) have been applied to study... 
LC-BLYP | Solvatochromism | Excitation and emission spectra | Exchange screening | DFT/TDDFT calculations | Organic dyes | APPROXIMATION | PERFORMANCE | SPECTRAL PROPERTIES | EXCITED-STATES | SENSITIZED SOLAR-CELLS | DFT | SPECTROSCOPY | TRANSFER SINGLET-STATES | EXCHANGE | ENERGIES | ELECTRONIC-STRUCTURE | Fluorescence
Journal Article
Computational Materials Science, ISSN 0927-0256, 10/2017, Volume 138, pp. 1 - 9
Structural, electronic and high-frequency dielectric properties of both the bulk crystal and the ordered nanostructured metamaterials, nanolayers (NLs) and... 
Nanowire | Ferroelectric | Density functional theory | Density of states | Energy bands | PbHPO4 | PbHPO | MODES | PBDPO4 | MATERIALS SCIENCE, MULTIDISCIPLINARY | FERROELECTRIC PHASE-TRANSITION | DYNAMICS | HYDROTHERMAL SYNTHESIS
Journal Article
Journal of Environmental Management, ISSN 0301-4797, 04/2017, Volume 190, pp. 80 - 90
Journal Article
JOURNAL OF ALLOYS AND COMPOUNDS, ISSN 0925-8388, 04/2019, Volume 782, pp. 488 - 495
A Bi3TeBO9 crystal is an excellent nonlinear optical material as well as an efficient host matrix for luminescent rare earth ions. Investigated Bi3TeBO9... 
Lattice dynamics | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | 2ND-HARMONIC GENERATION | CHEMISTRY, PHYSICAL | IR spectra | CRYSTAL | Ab initio calculations | Non-linear optics | Bi3TeBO9 | mu-Raman spectra
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 09/2009, Volume 80, Issue 9
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 06/2009, Volume 79, Issue 6, p. 067301
We report on the capillary rise of water in three-dimensional networks of hydrophilic silica pores with 3.5 nm and 5 nm mean radii, respectively (porous Vycor... 
flow through porous media | PHYSICS, FLUIDS & PLASMAS | boundary layers | ADSORPTION | PHYSICS, MATHEMATICAL | capillary waves | nanofluidics | sorption | water | CARBON NANOTUBES | FLOW | capillarity | nanoporous materials | silicon compounds | NEGATIVE PRESSURES | VYCOR GLASS | DYNAMICS | POROUS VYCOR | NANOSCALE | hydrophilicity | LIQUIDS
Journal Article
Physica E: Low-dimensional Systems and Nanostructures, ISSN 1386-9477, 04/2019, Volume 108, pp. 164 - 168
We have discovered a huge enhancement of the supercapacity (up to 4 times) under sun illumination of electrodes fabricated from cavitated nanoporous carbon... 
Pseudocapacity | Nyquist diagrams | Porous structures | Nanoporous carbon | Intercalation | PHYSICS, CONDENSED MATTER | NANOSCIENCE & NANOTECHNOLOGY
Journal Article
Applied Physics Letters, ISSN 0003-6951, 10/2010, Volume 97, Issue 15, pp. 153124 - 153124-3
Optical birefringence measurements on a rodlike liquid crystal, octyloxycyanobiphenyl, imbibed in silica channels (7 nm diameter), are presented and compared... 
PHYSICS, APPLIED
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 02/2013, Volume 113, Issue 8, p. 83103
We suggest a method for optimizing geometry of acousto-optic (AO) interactions in anisotropic crystalline materials. Within the framework of this method, one... 
INDICATIVE SURFACES | LITHIUM-NIOBATE CRYSTALS | PHYSICS, APPLIED | TEO2 | DIELECTRIC-PROPERTIES | Acousto-optics | Diffraction | Wave propagation | Anisotropy | Crystals | Acoustics | Optimization | Crystal structure
Journal Article
Computational Materials Science, ISSN 0927-0256, 01/2016, Volume 111, pp. 301 - 309
Lattice dynamics of CsH PO and CsD PO crystals has been studied by density functional theory in two structural phases ( and ). The bulk crystal structure,... 
Elastic constant | Ferroelectric | Density functional theory | Lattice dynamics | CsH2PO4 | Phonon frequency | CsH | ROOM-TEMPERATURE | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | NEUTRON-DIFFRACTION | FERROELECTRIC TRANSITION | KH2PO4 | ORDER | HEAT | SCATTERING
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 06/2014, Volume 89, Issue 6, p. 062501
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 6/2012, Volume 109, Issue 26, pp. 10245 - 10250
Journal Article
physica status solidi (b), ISSN 0370-1972, 03/2015, Volume 252, Issue 3, pp. 476 - 483
Lattice dynamics simulation of NH3CH2COOH·H2PO3 crystal is performed in paraelectric P21/a and ferroelectric P21 phases within the semi‐empirical model. The... 
ferroelectrics | RAMAN-SCATTERING | PHYSICS, CONDENSED MATTER | SINGLE-CRYSTALS | DGPI | PHASE-TRANSITION | glycinium phosphite | lattice dynamics | phase transitions | PHOSPHITE CRYSTAL | semi-empirical simulations | Phases | Ferroelectricity | Crystal lattices | Computer simulation | Ferroelectric materials | Dynamics | Lattices | Phonons | Density
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 06/2016, Volume 120, Issue 21, pp. 11727 - 11738
Chiral liquid crystals (ChLCs) allow a fundamental insight into the interplay of molecular chirality and the formation of macroscopic, self-assembled helices.... 
FIELDS | A TRANSITION | FILM | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | DYNAMICS | CHEMISTRY, PHYSICAL | CONTROLLED-PORE GLASS | NANOSCIENCE & NANOTECHNOLOGY | FABRICATION | MOLECULES
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 04/2013, Volume 87, Issue 4, p. 042502
Optical birefringence and light absorption measurements reveal four regimes for the thermotropic behavior of a nematogen liquid (7CB) upon sequential filling... 
PHYSICS, FLUIDS & PLASMAS | BEHAVIOR | PHASE-TRANSITION | 8CB | SURFACE | LIQUID-CRYSTAL | PHYSICS, MATHEMATICAL | Liquid Crystals - chemistry | Temperature | Silicon Dioxide - chemistry | Membranes, Artificial | Optical Phenomena | Nanopores | Pressure
Journal Article
Physical Review Letters, ISSN 0031-9007, 02/2018, Volume 120, Issue 6, p. 067801
Disklike molecules with aromatic cores spontaneously stack up in linear columns with high, one-dimensional charge carrier mobilities along the columnar axes,... 
MONTE-CARLO | TRANSITION | PHYSICS, MULTIDISCIPLINARY | CHIRAL STRUCTURES | LAYER GROWTH | DIFFRACTION | ADSORPTION | SIMULATION | NANOCHANNELS | ALUMINA | SURFACES
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 04/2019, Volume 782, pp. 488 - 495
A Bi TeBO crystal is an excellent nonlinear optical material as well as an efficient host matrix for luminescent rare earth ions. Investigated Bi TeBO... 
IR spectra | Ab initio calculations | Lattice dynamics | Non-linear optics | μ-Raman spectra | Bi3TeBO9 | TeBO | Rare earth metals | Infrared spectroscopy | Fourier transforms | Crystal lattices | Brillouin zones | Group theory | Phonons | Dynamic tests | Mathematical analysis | Spectrum analysis | Microcrystals | Optical materials | Chemical synthesis | Metal ions
Journal Article
Microporous and Mesoporous Materials, ISSN 1387-1811, 10/2014, Volume 197, pp. 26 - 32
An optical polarimetry study of the orientational order of a discotic liquid crystal (DLC), 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6), confined into... 
Porous alumina | Porous silica | Columnar discotics | Nanocomposites | Porous silicon | PHASE-BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | CHEMISTRY, APPLIED | NANOCHANNELS
Journal Article
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