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。Comprehending of florfenicol (form A) dissolution behavior in aqueous low alcohol blends: Solubility, solvation thermodynamics as well as inter-molecular interactions
Ying Liu et al.
JOURNAL OF CHEMICAL THERMODYNAMICS (2023)
Synthesis, crystal structure, Hirshfeld surface analysis, thermal, luminescent properties, and computational studies of the new triazole derivative 1-(5-methyl-1-(pyridin-2-ylmethyl)-1 H-1,2,3-triazol-4-yl)ethan-1-one
Benjamin Hernandez et al.
JOURNAL OF MOLECULAR STRUCTURE (2023)
A Microwave-Assisted, Solvent-Free Approach for the Versatile Functionalization of Carbon Nanotubes
Dewu Lin et al.
ACS NANO (2023)
Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1,2-bis(4-methoxybenzylidene)hydrazine
Ramkumar Subramaniyan et al.
JOURNAL OF MOLECULAR STRUCTURE (2023)
Synthesis, crystal structure, DFT calculations, and Hirshfeld surface analysis of an NNN pincer type compound
Ebru Keskin et al.
JOURNAL OF MOLECULAR STRUCTURE (2023)
Self-assembled stereomutation with supramolecular chirality inversion
Guofeng Liu et al.
CHEMICAL SOCIETY REVIEWS (2023)
Molecular assembly with a figure-of-eight nanohoop as a strategy for the collection and stabilization of cyclo[18]carbon
Zeyu Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
Hirshfeld surface analysis, interaction energy calculation and spectroscopical study of 3-chloro-3-methyl-r(2),c(6)-bis(p-tolyl)piperidin-4-one using DFT approaches
R. Arulraj
JOURNAL OF MOLECULAR STRUCTURE (2022)
Synthesis, crystal structure and fungicidal activities of 3-(Trifluoromethyl)-Pyrazole-4-carboxylic oxime ester derivatives
Meng-Meng Yao et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases
M. Ayaz et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent
Arulraj Ramalingam et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Synthesis, molecular docking of 3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses
Anitha Kumar et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Effect of intermolecular hydrogen bonds on the proton transfer and fluorescence characteristics of 1′-hydroxy-2′-acetonaphthone
Hengwei Zhang et al.
JOURNAL OF MOLECULAR LIQUIDS (2022)
Quantitative surface and Hirshfeld surface analysis of nicorandil molecule and further insight into its solubility in several aqueous protic and aprotic cosolvent solutions
Juan Wang et al.
JOURNAL OF MOLECULAR LIQUIDS (2022)
Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5, 6-tetrahydropyridine-3-carboxylate
Arulraj Ramalingam et al.
HELIYON (2022)
Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-2,6-Bis(4-Chlorophenyl)-3-Methylpiperidin-4-One
Arulraj Ramalingam et al.
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY (2021)
Crystallographic, spectroscopic, TD/DFT calculations and Hirshfeld surface analysis of cadmium(II) coordination polymer containing pyridine ring
Lan-Qin Chai et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Synthesis, crystal structure and photophysical properties of deep-blue emitting cationic iridium(III) complexes with 2′,6′-difluoro-2,3′-bipyridine cyclometalated ligand and pyrazole-type ancillary ligands
Fuli Zhang et al.
JOURNAL OF LUMINESCENCE (2021)
Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method
Arulraj Ramalingam et al.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE (2021)
Efficient evaluation of electrostatic potential with computerized optimized code
Jun Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-3-methyl-r(2),c(6)-bis(p-methoxyphenyl)piperidin-4-one
R. Arulraj et al.
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY (2020)
Solid-State Landscape of 4,4′-Azobis(3,5-dimethyl-1H-pyrazole) with the Isolation of Conformer-Dependent Polymorphs
Simon Milian et al.
CRYSTAL GROWTH & DESIGN (2020)
Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one
R. Arulraj et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)
Synthesis, co-crystal structure, and DFT calculations of a multicomponent co-crystal constructed from 1H-benzotriazole and tetrafluoroterephthalic acid
Fengcai Li et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Two-Dimensional Excitonic Metal-Organic Framework: Design, Synthesis, Regulation, and Properties
Tong Yan et al.
INORGANIC CHEMISTRY (2019)
Solvent-free microwave assisted synthesis and corrosion inhibition study of a series of hydrazones derived from thiophene derivatives: Experimental, surface and theoretical study
A. K. Singh et al.
JOURNAL OF MOLECULAR LIQUIDS (2019)
Synthesis, crystal structure, characterization and antifungal activity of 3,4-diaryl-1H-Pyrazoles derivatives
Jin Zhang et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Supramolecular Chirality in Self-Assembled Systems
Minghua Liu et al.
CHEMICAL REVIEWS (2015)
Synthesis and crystal structures of mononuclear CuII/CoII coordination complexes from pyrazole-dicarboxylate acid derivatives
Smaail Radi et al.
POLYHEDRON (2015)
Assembling novel Cd(II) complexes with multidentate nitrogen donor ligands obtained in situ from the system: zerovalent copper, cadmium oxide, 1-hydroxymethyl-3,5-dimethylpyrazole and ammonium thiocyanate
Barbara Barszcz et al.
DALTON TRANSACTIONS (2013)
Anion-directed organized assemblies of protonated pyrazole-based ionic salts
Chun-yang Zheng et al.
STRUCTURAL CHEMISTRY (2013)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
New generation of functionalized bipyrazolic tripods: synthesis and study of their coordination properties towards metal cations
Tarik Harit et al.
TETRAHEDRON (2012)
Iron(II) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides
Fei Xue et al.
DALTON TRANSACTIONS (2011)
The electrostatic potential: an overview
Jane S. Murray et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
Average local ionization energy: A review
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2010)
Cooperative N-H•••N, N-H•••O, and O-H•••N bonded molecular dimers of two new 3,5-diaryl-1H-pyrazoles
Chun-Yang Zheng et al.
STRUCTURAL CHEMISTRY (2010)
Synthesis, characterization, and crystal structures of new 3,5-diaryl-1H-pyrazoles
Dun-Jia Wang et al.
JOURNAL OF MOLECULAR STRUCTURE (2009)
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)
The structure of pyrazoles in the solid state:: A combined CPMAS, NMR, and crystallographic study
Rosa M. Claramunt et al.
JOURNAL OF ORGANIC CHEMISTRY (2006)
Synthesis of N,N′-bis and N,N,N′,N′ tetra-[(3,5-di-substituted-1-pyrazolyl)methyl]para-phenylenediamines:: new candidate ligands for metal complex wires
M Daoudi et al.
TETRAHEDRON (2006)
A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains
C Foces-Foces et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)