相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis, linear and NLO properties of new hybrid compound based on tin fluoride oxalate and organic amine molecule (C12N2H9)2[SnF2(C2O4)2]2H2O
Rima Gheribi et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Phosphates branching effect on the structure, linear and NLO properties of linear phosphazenes
Djebar Hadji
MATERIALS CHEMISTRY AND PHYSICS (2021)
Linear and nonlinear optical properties of anhydride derivatives: A theoretical investigation
Yahiaoui Bekki et al.
Chemical Data Collections (2021)
Synthesis, Characterization, Linear and NLO Properties of Novel N-(2,4-Dinitrobenzylidene)-3-Chlorobenzenamine Schiff Base: Combined Experimental and DFT Calculations
Abdelmadjid Benmohammed et al.
JOURNAL OF ELECTRONIC MATERIALS (2021)
Synthesis, characterization and DFT calculations of linear and NLO properties of novel (Z)-5-benzylidene-3-N(4-methylphenyl)-2-thioxothiazolidin-4-one
T. Bensafi et al.
JOURNAL OF SULFUR CHEMISTRY (2021)
Theoretical study of geometric, optical, nonlinear optical, UV-Vis spectra and phosphorescence properties of iridium(III) complexes based on 5-nitro-2-(2 ',4 '-difluorophenyl)pyridyl
Mohamed Boukabene et al.
THEORETICAL CHEMISTRY ACCOUNTS (2020)
Synthesis and DFT calculations of linear and nonlinear optical responses of novel 2-thioxo-3-N,(4-methylphenyl) thiazolidine-4 one
B. Baroudi et al.
JOURNAL OF SULFUR CHEMISTRY (2020)
Theoretical insights into the static chemical reactivity and NLO properties of some conjugated carbonyl compounds: case of 5-aminopenta-2,4-dienal derivatives
Asma Merouane et al.
MONATSHEFTE FUR CHEMIE (2020)
Amorphous covalent inorganic-organic hybrid frameworks (CIOFs) with an aggregation induced selective response to UV-Visible light and their DFT studies
Majid Basharat et al.
JOURNAL OF MATERIALS CHEMISTRY C (2020)
First theoretical study of linear and nonlinear optical properties of diphenyl ferrocenyl butene derivatives
Djebar Hadji et al.
JOURNAL OF MOLECULAR LIQUIDS (2019)
Poly(cyclotriphosphazene-co-tris(4-hydroxyphenyl)ethane) Microspheres with Intrinsic Excitation Wavelength Tunable Multicolor Photoluminescence
Majid Basharat et al.
MACROMOLECULAR CHEMISTRY AND PHYSICS (2019)
First Principles Investigation of the Polarizability and First Hyperpolarizability of Anhydride Derivatives
Djebar Hadji et al.
CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY (2019)
Synthesis and characterization of thermally stable and flame retardant hexakis(4-aminophenoxy)cyclotriphosphazene-based polyimide matrices
S. Devaraju et al.
INTERNATIONAL JOURNAL OF POLYMER ANALYSIS AND CHARACTERIZATION (2018)
Structural, optical and nonlinear optical properties and TD-DFT analysis of heteroleptic bis-cyclometalated iridium(III) complex containing 2-phenylpyridine and picolinate ligands
Djebar Hadji et al.
THEORETICAL CHEMISTRY ACCOUNTS (2018)
A Computational Probe into the Dissolution Inhibitation Effect of Diazonaphthoquinone Photoactive Compounds on Positive Tone Photosensitive Polyimides
Feng Zheng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Bonding and optical properties of spirocyclic-phosphazene derivatives. A DFT approach
Raul Guajardo Maturana et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Molecular structure, linear and nonlinear optical properties of some cyclic phosphazenes: A theoretical investigation
Djebar Hadji et al.
JOURNAL OF MOLECULAR STRUCTURE (2016)
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Mobius annulenes: a DFT study
Md Mehboob Alam et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
How Does Hybrid Bridging Core Modification Enhance the Nonlinear Optical Properties in Donor-π-Acceptor Configuration? A Case Study of Dinitrophenol Derivatives
Shabbir Muhammad et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
Exploring bridging effect on first hyperpolarizability
Ria Sinha Roy et al.
RSC ADVANCES (2015)
Beryllium-Cyclobutadiene Multidecker Inverse Sandwiches: Electronic Structure and Second-Hyperpolarizability
Kaushik Hatua et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Analysis of UV and vibrational spectra (FT-IR and FT-Raman) of hexachlorocyclotriphosphazene based on normal coordinate analysis, MP2 and DFT calculations
Wajdi M. Zoghaib et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2013)
Nonlinear optical properties of fluorobenzenes: A Time-Dependent Hartree-Fock study
Andrea Alparone
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
Surface Modification Using Phosphonic Acids and Esters
Clemence Queffelec et al.
CHEMICAL REVIEWS (2012)
Reference molecules for nonlinear optics: A joint experimental and theoretical investigation
Frederic Castet et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Effects of Different Basis Sets and Donor-Acceptor Groups on Linear and Second-Order Nonlinear Optical Properties and Molecular Frontier Orbital Energies
Davut Avci et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
Structure and Conformation of Methyl-Terminated Poly(ethylene oxide)-Bis[methylenephosphonate] Ligands Adsorbed to Boehmite (AlOOH) from Aqueous Solutions. Attenuated Total Reflection Infrared (ATR-IR) Spectra and Dynamic Contact Angles
Jacob J. Shephard et al.
LANGMUIR (2010)
The stabilization and bio-functionalization of iron oxide nanoparticles using heterotelechelic polymers
Cyrille Boyer et al.
JOURNAL OF MATERIALS CHEMISTRY (2009)
Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations
R. Zalesny et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Electronic Hyperpolarizabilities for Donor-Acceptor Molecules with Long Conjugated Bridges: Calculations versus Experiment
Kyrill Yu. Suponitsky et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A Highly Effective, Nontoxic T-1 MR Contrast Agent Based on Ultrasmall PEGylated Iron Oxide Nanoparticles
Ulrich I. Tromsdorf et al.
NANO LETTERS (2009)
Redispersible hybrid nanopowders: Cerium oxide nanoparticle complexes with phosphonated-PEG oligomers
Ling Qi et al.
ACS NANO (2008)
Photorefractive performance of hyperstructured cyclotriphosphazene molecular glasses containing carbazole moieties
Li Zhang et al.
ADVANCED FUNCTIONAL MATERIALS (2008)
Synthesis and properties of novel Y-shaped nonlinear optical polymers containing imidazole-based chromophores
Yang Pan et al.
JOURNAL OF APPLIED POLYMER SCIENCE (2008)
Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability
Kyrill Yu. Suponitsky et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
From planar to nonplanar cyclotriphosphazenes
T. Kupka et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2008)
Conformational dependence of the first molecular hyperpolarizability in the computational design of nonlinear optical materials for optical switching
Kyrill Yu. Suponitsky et al.
MENDELEEV COMMUNICATIONS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model
Robert Zalesny et al.
CHEMICAL PHYSICS (2007)
Synthesis and characterization of dendritic nonlinear optical chromophore containing phenylene attached with bulky alkyl group
Jin Joo Choi et al.
MACROMOLECULAR RESEARCH (2007)
The choice of basis set for calculations of linear and nonlinear optical properties of conjugated organic molecules in gas and in dielectric medium by the example of p-nitroaniline
M. Yu. Balakina et al.
COMPUTATIONAL MATERIALS SCIENCE (2007)
Toward the syntheses of universal ligands for metal oxide surfaces: Controlling surface functionality through click chemistry
Meghann A. White et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives:: A comparison with density functional results
M Pecul et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions
Y Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Linear and nonlinear optics properties of polyphosphazene/polynitrile alternating copolymers
D Jacquemin
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Synthesis of hexa-allylamino-cyclotriphosphazene as a reactive fire retardant for unsaturated polyesters
JF Kuan et al.
JOURNAL OF APPLIED POLYMER SCIENCE (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Polyphophazene containing indole-based dual chromophores: Synthesis and nonlinear optical characterization
Z Li et al.
MACROMOLECULES (2002)
Nonlinear optical properties of linear chain phosphazenes, (PN)x
PC Jha et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Synthesis and crystal structure of tris(9,10-phenanthrenedioxy)cyclotriphosphazene. A new clathration system
HR Allcock et al.
CHEMISTRY OF MATERIALS (2000)