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。Efficient Synthesis of Imine-Carboxylic Acid Functionalized Compounds: Single Crystal, Hirshfeld Surface and Quantum Chemical Exploration
Muhammad Nawaz Tahir et al.
MOLECULES (2023)
Synthesis and in Silico Docking Studies of Ethyl 2-(2-Arylidene-1-alkylhydrazinyl)thiazole-4-carboxylates as Antiglycating Agents
Kiran Shahzadi et al.
CHEMISTRY & BIODIVERSITY (2022)
Experimental and theoretical studies of the influence of alkyl groups on the photovoltaic properties of (E)-6-((2, 3-dihydroxylnaphthalene) diazenyI)-1H-benzoisoquinoline-1,3-dione-based organic solar cell
Fredrick C. Asogwa et al.
JOURNAL OF MOLECULAR MODELING (2022)
Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR), HOMO-LUMO, chemical reactivity, AIM, ELF, LOL and Molecular docking studies on 1-Benzyl-4-(N-Boc-amino)piperidine
S. Janani et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Synthesis, antioxidant, antimicrobial and antiviral docking studies of ethyl 2-(2-(arylidene)hydrazinyl)thiazole-4-carboxylates
Muhammad Haroon et al.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES (2021)
Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation
Muhammad Khalid et al.
JOURNAL OF SAUDI CHEMICAL SOCIETY (2021)
Computational study of linear and nonlinear optical properties of substituted thiophene imino dyes using long-range corrected hybrid DFT methods
Lamia Kara Zaitri et al.
MOLECULAR PHYSICS (2020)
Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent
P. Manjusha et al.
COMPUTATIONAL BIOLOGY AND CHEMISTRY (2020)
Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response
Aqsa Saeed et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2020)
Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: A DFT refine experimental study
Rifat Jawaria et al.
INORGANICA CHIMICA ACTA (2019)
Spirobifluorene based small molecules as an alternative to traditional fullerene acceptors for organic solar cells
Muhammad Ans et al.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2019)
Spectroscopic, XRD, Hirshfeld surface and DFT approach (chemical activity, ECT, NBO, FFA, NLO, MEP, NPA& MPA) of (E)-4-bromo-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol
Zeynep Demircioglu et al.
JOURNAL OF MOLECULAR STRUCTURE (2019)
Design and preparation of side chain electro-optic polymeric materials based on novel organic second order nonlinear optical chromophores with double carboxyl groups
Li Guo et al.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS (2018)
Molecular Design of Efficient Organic D-A-pi-A Dye Featuring Triphenylamine as Donor Fragment for Application in Dye-Sensitized Solar Cells
Parnian Ferdowsi et al.
CHEMSUSCHEM (2018)
A combined experimental and computational study of 3-bromo-5-(2,5-difluorophenyl) pyridine and 3,5-bis(naphthalen-1-yl)pyridine: Insight into the synthesis, spectroscopic, single crystal XRD, electronic, nonlinear optical and biological properties
Ghiasuddin et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy-benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide
Muhammad Shahid et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis
Muhammad Saeed Ahmad et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2018)
Synthesis, characterisation, optical and nonlinear optical properties of thiazole and benzothiazole derivatives: a dual approach
Shabbir Muhammad et al.
MOLECULAR SIMULATION (2018)
Revised M06 density functional for main-group and transition-metal chemistry
Ying Wang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Viewpoint: Inorganic Materials for UV and Deep-UV Nonlinear-Optical Applications
P. Shiv Halasyamani et al.
INORGANIC CHEMISTRY (2017)
Growth and characterization of DL-Mandelic acid (C6H5CH(OH)CO2H) single crystal for third-order nonlinear optical applications
P. Jayaprakash et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2
Martin Srnec et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
X-ray structural, spectroscopic and computational approach (NBO, MEP, NLO, NPA, fukui function analyses) of (E)-2-((4-bromophenylimino)methyl)-3-methoxyphenol
Zeynep Demircioglu et al.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS (2017)
Fluorooxoborates: Beryllium-Free Deep-Ultraviolet Nonlinear Optical Materials without Layered Growth
Bingbing Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Coordination chemistry of thiazoles, isothiazoles and thiadiazoles
Luis M. T. Frija et al.
COORDINATION CHEMISTRY REVIEWS (2016)
Push-pull second harmonic generation chromophores bearing pyrrole and thiazole heterocycles functionalized with several acceptor moieties: Syntheses and characterization
M. Cidalia R. Castro et al.
DYES AND PIGMENTS (2016)
Donor-acceptor molecules based on benzothiadiazole: Synthesis, X-ray crystal structures, linear and third-order nonlinear optical properties
Di Jiang et al.
DYES AND PIGMENTS (2016)
Nonlinear optical properties of curcumin: solvatochromism-based approach and computational study
Sachin N. Margar et al.
MOLECULAR PHYSICS (2016)
The effect of heterocyclic π bridges on second order nonlinear optical properties of compounds formed between ferrocenyl and corannulenyl
He Chen et al.
RSC ADVANCES (2016)
Transport Rankings of Non-Steroidal Antiinflammatory Drugs across Blood-Brain Barrier In Vitro Models
Iveta Novakova et al.
PLOS ONE (2014)
Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods
N. R. Sheela et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method
S. Muthu et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues
Irina F. Sevrioukova et al.
BIOCHEMISTRY (2013)
Chiral 6,7-bis(hydroxymethyl)-1H,3H-pyrrolo[1,2-c]thiazoles with anti-breast cancer properties
Maria I. L. Soares et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2013)
Two-photon absorption and optical power limiting properties of ladder-type tetraphenylene cored chromophores with different terminal groups
Changquan Tang et al.
JOURNAL OF MATERIALS CHEMISTRY C (2013)
A Tutorial on Nonlinear Photonic Applications of Carbon Nanotube and Graphene
Shinji Yamashita
JOURNAL OF LIGHTWAVE TECHNOLOGY (2012)
D-D-π-A-Type Organic Dyes for Dye-Sensitized Solar Cells with a Potential for Direct Electron Injection and a High Extinction Coefficient: Synthesis, Characterization, and Theoretical Investigation
Supawadee Namuangruk et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Marcus D. Hanwell et al.
JOURNAL OF CHEMINFORMATICS (2012)
Synthesis, anti-bacterial and anti-fungal activities of some novel Schiff bases containing 2,4-disubstituted thiazole ring
S. K. Bharti et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)
Substituent effects on electronic character of the C=N group and trans/cis isomerization in the C-substituted imine derivatives: A computational study
Shuhua He et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2010)
Synthesis and antiviral activity of new pyrazole and thiazole derivatives
Osama I. El-Sabbagh et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2009)
Metalloporphyrin polymer with temporally agile, broadband nonlinear absorption for optical limiting in the near infrared
Joel M. Hales et al.
OPTICS EXPRESS (2009)
Multiphoton absorbing materials: Molecular designs, characterizations, and applications
Guang S. He et al.
CHEMICAL REVIEWS (2008)
Reversible redox-switchable second-order optical nonlinearity in polyoxometalate:: A quantum chemical study of [PW11O39(ReN)]n- (n=3-7)
Wei Guan et al.
INORGANIC CHEMISTRY (2008)
cclib: A library for package-independent computational chemistry algorithms
Noel M. O'Boyle et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Carbon-heteroatom bond formation catalysed by organometallic complexes
John F. Hartwig
NATURE (2008)
In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches
Aurelie Plaquet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Linear optical transmission measurements and computational study of linear polarizabilities, first hyperpolarizabilities of a dinuclear iron(III) complex
Ash Karakas et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2007)
Strategies to bypass the taxol problem. Enantioselective cascade catalysis, a new approach for the efficient construction of molecular complexity
Abbas M. Walji et al.
SYNLETT (2007)
Structural conformation and vibrational spectroscopic studies of 2,6-bis(p-N,N-dimethyl benzylidene) cyclohexanone using density functional theory
C. James et al.
JOURNAL OF RAMAN SPECTROSCOPY (2006)
Forced intercalation probes (FIT probes): Thiazole orange as a fluorescent base in peptide nucleic acids for homogeneous single-nucleotide-polymorphism detection
O Kohler et al.
CHEMBIOCHEM (2005)
Syntheses and spectroscopic and quadratic nonlinear optical properties of extended dipolar complexes with ruthenium(II) ammine electron donor and N-methylpyridinium acceptor groups
BJ Coe et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A comprehensive study of linear and non-linear optical properties of novel charge transfer molecular systems
BAS Mendis et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)
Ionization potential, electron affinity, electronegativity, hardness, and electron excitation energy: Molecular properties from density functional theory orbital energies
CG Zhan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Third-order optical nonlinearities of alpha,omega-dithienylpolyenes and oligo(thienylvinylene)
WF Sun et al.
OPTICS COMMUNICATIONS (2003)
Thiazole orange as fluorescent universal base in peptide nucleic acids
O Kohler et al.
CHEMICAL COMMUNICATIONS (2003)
Measurement of the electron electric dipole moment using YbF molecules
JJ Hudson et al.
PHYSICAL REVIEW LETTERS (2002)
Hydrolysis theory for cisplatin and its analogues based on density functional studies
Y Zhang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Low (sub-1-volt) halfwave voltage polymeric electro-optic modulators achieved by controlling chromophore shape
YQ Shi et al.
SCIENCE (2000)
分享论文
