Related references
Note: Only part of the references are listed.Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane
Tomsmith O. Unimuke et al.
ACS OMEGA (2022)
Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking investigations
Kun Wei et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Spectroscopic, conformational analysis, structural benchmarking, excited state dynamics, and the photovoltaic properties of Enalapril and Lisinopril
Uzitem J. Undiandeye et al.
JOURNAL OF THE INDIAN CHEMICAL SOCIETY (2022)
Spectroscopic and molecular electronic property investigation of 2-phenylpyrimidine-4, 6-diamine via 1 H NMR, UV-vis, FT-Raman, FT-IR, and DFT approach
Tomsmith O. Unimuke et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Spectroscopic (UV-vis, FT-IR, FT-Raman, and NMR) analysis, structural benchmarking, molecular properties, and the in-silico cerebral anti-ischemic activity of 2-amino-6-ethoxybenzothiazole
Wilfred Emori et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies
Innocent Benjamin et al.
JOURNAL OF MOLECULAR STRUCTURE (2022)
Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment
Ernest C. Agwamba et al.
CHEMICAL PHYSICS IMPACT (2022)
Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
Victor T. Sabe et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)
An Efficient Synthesis, Spectroscopic Characterization, and Optical Nonlinearity Response of Novel Salicylaldehyde Thiosemicarbazone Derivatives
Muhammad Khalid et al.
ACS OMEGA (2021)
Synthesis, structural study and characterization of two new (ClC7H6NH3)ClO4•H2O isostructural hydrates of isomeric organic amine perchlorates
I Bayar et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
PrankWeb: a web server for ligand binding site prediction and visualization
Lukas Jendele et al.
NUCLEIC ACIDS RESEARCH (2019)
Structure of a human synaptic GABAA receptor
Shaotong Zhu et al.
NATURE (2018)
Crystal structure, quantum mechanical study and spectroscopic studies of nitrate and perchlorate salts of 3-chloroaniline, [C6H7ClN]NO3 (I) and [C6H7ClN]ClO4 (II)
I. Bayar et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits
Genevieve E. Lind et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Ac Conductivity and Transport Properties of [N(C3H7)4]2Zn2Cl6 Compound
M. Ben Gzaiel et al.
JOURNAL OF CLUSTER SCIENCE (2015)
Alternating-current conductivity and dielectric relaxation of bulk iodoargentate
Hai-Bao Duan et al.
MATERIALS RESEARCH BULLETIN (2015)
Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals
Michael J. Turner et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Structural phase transition and magnetic properties of layered organic-inorganic hybrid compounds: p-Haloanilinium tetrachlorocuparate(II)
Ashok K. Vishwakarma et al.
POLYHEDRON (2011)
A short history of SHELX
George M. Sheldrick
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES (2008)
Structural characterization, spectroscopic properties and phase transition in 4-aminopyridinium tetrachlorogallate(III): [4-NH2PyH][GaCl4]
P. Szklarz et al.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2007)
MP2 static first hyperpolarizability of azo-enaminone isomers
TL Fonseca et al.
CHEMICAL PHYSICS LETTERS (2005)
Gold nanoparticles: Assembly, supramolecular chemistry, quantum-size-related properties, and applications toward biology, catalysis, and nanotechnology
MC Daniel et al.
CHEMICAL REVIEWS (2004)
Nanocrystalline semiconductors: Synthesis, properties, and perspectives
T Trindade et al.
CHEMISTRY OF MATERIALS (2001)