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Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNEPACS: 71. Electronic structure of bulk materials, 71.20.-b Electron density of states and band structure of crystalline solids, 73.20.-r electron states at surfaces and interfaces. 73.61.-r electrical properties of specific thin films, 73.61.Ph polymers; organic compounds

2018-04

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On the density of electron states and magnetization of the crystalline narrow band sd model

Physica status solidi. B. Basic research, 1992-11, Vol.174 (1), p.67-77

1992

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A Hybrid Solid‐State NMR and Electron Microscopy Structure‐Determination Protocol for Engineering Advanced para‐Crystalline Optical Materials

Chemistry : a European journal, 2017-03, Vol.23 (14), p.3280-3284

2017

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Electron mean free path and conduction-band density of states in solid argon

Solid state communications, 1986, Vol.57 (3), p.203-205

1986

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Phonon excitations in low-energy-electron scattering from solid Ar, Kr, and Xe films : direct observation of conduction-band density of states

Physical review. B, Condensed matter, 1991-11, Vol.44 (19), p.10485-10492

1991

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Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge−C Bonds in Crystalline Semiconductor Solids

Inorganic chemistry, 1997-11, Vol.36 (23), p.5198-5201

1997

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ChemInform Abstract: Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids

ChemInform, 1998-02, Vol.29 (5), p.no-no

1998

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Crystalline In--Ga--Zn--O Density of States and Energy Band Structure Calculation Using Density Function Theory

Japanese Journal of Applied Physics, 2011-09, Vol.50 (9), p.091102-091102-10

2011

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Controllable synthesis of brookite/anatase/rutile TiO2 nanocomposites and single-crystalline rutile nanorods arrayElectronic supplementary information (ESI) available: FESEM images of the oriented rutile TiO2 nanorod array, relative components of anatase, brookite, and rutile phase, TEM images of sample T7, sample T2, and P25, FTIR spectra, photocatalytic comparative testing, calculated band structures and total density of states (DOS) and the projected density of states (PDOS) of brookite, anat

2012-03

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Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses

Crystal growth & design, 2014-06, Vol.14 (6), p.2763-2772

2014

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Solid-State 13C NMR Analyses of the Crystalline−Noncrystalline Structure for Metallocene-Catalyzed Linear Low-Density Polyethylene

Macromolecules, 1997-12, Vol.30 (24), p.7516-7521

1997

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Crystalline In–Ga–Zn–O Density of States and Energy Band Structure Calculation Using Density Function Theory

Japanese Journal of Applied Physics, 2011-09, Vol.50 (9R), p.91102

2011

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The Band Structure and Electron Density of InSb 1-x Bi x Solid Solutions

Acta physica Polonica, A, 1998-09, Vol.94 (3), p.611-616

1998

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Electronic Properties of Complex Crystalline and Amorphous Phases of Ge and Si. I. Density of States and Band Structures

Physical review. B, Solid state, 1973-03, Vol.7 (6), p.2644-2657

1973

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Properties of IRMOF-14 and its analogues M-IRMOF-14 (M = Cd, alkaline earth metals): electronic structure, structural stability, chemical bonding, and optical propertiesElectronic supplementary information (ESI) available: Calculated charge density, charge transfer, and electron localization function (ELF) plots, total density of states (TDOS) and partial density of states (PDOS), band structures and optical properties of M-IRMOF-14 (M = Cd, Be, Mg, Ca, Sr and Ba). See DOI: 10.1039/c2cp24091b

2012-03

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Solid-State 13 C NMR Analyses of the Crystalline−Noncrystalline Structure for Metallocene-Catalyzed Linear Low-Density Polyethylene

Macromolecules, 1997-12, Vol.30 (24), p.7516-7521

1997

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Conduction-band density of states in solid argon revealed by low-energy-electron backscattering from thin films: Role of the electron mean free path

Physical review. B, Condensed matter, 1994-08, Vol.50 (8), p.5101-5109

1994

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Electron mean free path and conduction-band density-of-states in solid methane as determined from low-energy electron transmission experiments

Solid state communications, 1985-01, Vol.55 (12), p.1115-1118

1985

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Vibrational electron spectroscopy of molecules in solids: Effect of the conduction-band density of states

Physical review. B, Condensed matter, 1999-06, Vol.59 (23), p.15480-15494

1999

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Structures, electron density and characterization of novel photocatalysts, (BaTaO2N)1−x(SrWO2N)x solid solutionsElectronic supplementary information (ESI) available: (A) Sample photos, (B) photocatalytic activity measurement details, (C) Rietveld analysis results of synchrotron X-ray diffraction data and compositional dependence of lattice parameter, (D) band gap estimation, and (E) photocatalytic activity. See DOI: 10.1039/c7dt02873c

2017-11

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A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotatorElectronic supplementary information (ESI) available: Thermal analysis of solvent-free {1} and density functional theory and semiempirical calculations of the rotational potential in the gas phase and in the solid state. Crystal structure data for {1} (100 K, 80-480 K), {1(tol)2}, and two refinements of {1(CNPT)2}. CCDC 986384-986396. For ESI and crystallographic data in CIF or other e

2014-06

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Conduction-band density of states in solid argon revealed by low-energy-electron backscattering from thin films-role of the electron mean free path

Physical review. B, Condensed matter and materials physics, 1994, Vol.50, p.5101-5109

1994

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X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystalline BaTiO{sub 3}

Physical review. B, Condensed matter and materials physics, 2006-10, Vol.74 (13)

2006

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Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materialsElectronic supplementary information (ESI) available: Synthetic procedures, 1H and 13C spectral data, theoretical band structure and density of states of 8, and modeling recognition of small molecules for 11. Crystallographic data for the structures in this paper has been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC 1525777 (8) and 152577

2017-03

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Assembling phosphorene flexagons for 2D electron-density-guided nanopatterning and nanofabricationElectronic supplementary information (ESI) available: Figures: Atomic structure of unit phosphorene nanoflakes, DFT-PBE band structure, density-of-states, and partial electron densities at band edges of phosphorene flexagons, strain-energy curve of phosphorene flexagons, simulated STM images of normal phosphorene phases. Tables: Calculated elastic properties of selected phosphorene flexagons. See DO

2017-07

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On the density of electron states and magnetization of the crystalline narrow band sd model

A Hybrid Solid‐State NMR and Electron Microscopy Structure‐Determination Protocol for Engineering Advanced para‐Crystalline Optical Materials

Electron mean free path and conduction-band density of states in solid argon

Phonon excitations in low-energy-electron scattering from solid Ar, Kr, and Xe films : direct observation of conduction-band density of states

Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge−C Bonds in Crystalline Semiconductor Solids

ChemInform Abstract: Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids

Crystalline In--Ga--Zn--O Density of States and Energy Band Structure Calculation Using Density Function Theory

Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses

Solid-State 13C NMR Analyses of the Crystalline−Noncrystalline Structure for Metallocene-Catalyzed Linear Low-Density Polyethylene

Crystalline In–Ga–Zn–O Density of States and Energy Band Structure Calculation Using Density Function Theory

The Band Structure and Electron Density of InSb 1-x Bi x Solid Solutions

Electronic Properties of Complex Crystalline and Amorphous Phases of Ge and Si. I. Density of States and Band Structures

Solid-State 13 C NMR Analyses of the Crystalline−Noncrystalline Structure for Metallocene-Catalyzed Linear Low-Density Polyethylene

Conduction-band density of states in solid argon revealed by low-energy-electron backscattering from thin films: Role of the electron mean free path

Electron mean free path and conduction-band density-of-states in solid methane as determined from low-energy electron transmission experiments

Vibrational electron spectroscopy of molecules in solids: Effect of the conduction-band density of states

Conduction-band density of states in solid argon revealed by low-energy-electron backscattering from thin films-role of the electron mean free path

X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystalline BaTiO{sub 3}

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