original ) (raw )Experimental and Computational Projects on Molecular Spectroscopy
Søren Balling Engelsen
Recent Experimental and Computational Advances in Molecular Spectroscopy, 1993
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Ab initio calculations on large molecules using molecular fragments. Preliminary investigation of ethyl chlorophyllide a and related molecules
Gerald M Maggiora
Chemical Physics Letters, 1975
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A theoretical study of phenolic compounds with antioxidant properties
Benedito Lobato
European Journal of Medicinal Chemistry, 2007
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Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid
Ayesha A N I M A T O R Fatima
Crystals, 2022
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Crystallography, vibrational, electronic and optical analysis of 4-Bromo-2-(2,5-dichloro-phenylimino)-phenol
Masoud Bezi Javan
Journal of Molecular Structure, 2018
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ABC’s of Acid-Base Chemistry
Mahboobeh Yadollahie
Pathophysiologic Basis of Acid-Base Disorders, 2021
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Spectrochimica Acta Part A , Molecular and Biomolecular Spectroscopy 183 (2017) 84–
Abdullah M. Asiri
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Density functional theory calculations and Vibrational spectral analysis of 3,5-(Dinitro benzoic acid).
MAURICIO ALCOLEA PALAFOX
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Density functional theory study of dipicolinic acid isomers and crystalline polytypes
Estela Blaisten-Barojas
Computational and Theoretical Chemistry, 2011
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Molecular Structure of Phenytoin: NMR, UV-Vis and Quantum Chemical Calculations
Vasile Chis
Croatica Chemica Acta, 2015
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Crystal structure and spectroscopic study of 2-[(2,6-dichlorophenyl)amino]phenylacetoxyacetic acid (Aceclofenac)
Emilio Carrasco
Journal of crystallographic and spectroscopic research, 1992
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Progress in the chemistry of organic natural products. Vol. XIV
Yoshinori Asakawa
Archives of Biochemistry and Biophysics, 1958
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Anticancer Activity of Phenolic Acids of Natural or Synthetic Origin: A Structure−Activity Study
Fernanda Borges
Journal of Medicinal Chemistry, 2003
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Crystal Structure of Pyridoxal Amino Methyl Phosphonic Acid (PYRAMPA) and Its Stability Constants with Al3+
Wesley Harris , Yahia Hamada
International Journal of Green Nanotechnology, 2013
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A theoretical study of the structure, electronic properties, and reactivity of phenylcyanates
Memdoh Naji
Journal of Molecular Structure: THEOCHEM, 1997
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Exploring molecular structure (monomer & dimer), spectroscopic (FT-IR, FT-Raman, UV-Vis, NMR), TG/DTA, antibacterial and molecular docking investigation on 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid by DFT and wavefunction analysis
R. Sagayaraj
Chemical Physics Impact, 2024
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11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry
Maria Luísa Cardoso do Vale
Pharmaceuticals, 2016
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A single theoretical descriptor for the bond-dissociation energy of substituted phenols
Iriux Almodovar Fajardo
Journal of Molecular Modeling, 2015
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Simulation of a tetramer form of 5-Chlorouracil: the vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations
MAURICIO ALCOLEA PALAFOX
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Structure of water-hydrochloric acid complexes in argon and nitrogen matrices from infrared spectra
Bernard Silvi
The Journal of Physical Chemistry, 1977
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Photochemistry and Photophysics of 1-Azaxanthone in Organic Solvents
Lydia Martinez
The Journal of Physical Chemistry A, 1998
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Conformational analysis of isolated docosahexaenoic acid (22:6 n-3) and its 14 (S) and 11 (S) hydroxy derivatives by force field calculations
Michel Lagarde
Chemistry and Physics of Lipids, 1994
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The Hydrogen-Bonding Interactions between 4,4’-Thiodiphenol and Some Poly(hydroxyalkanoic acid)s Revealed by DSC and FT-IR Spectroscopic Analysis
Kazuki Ishida
Polymer Journal, 2001
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Thermochemistry of chromone-and coumarin-3-carboxylic acid
Victor Morais
Journal of thermal analysis and …, 2010
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Experimental and calculated 1H, 13C and 31P NMR spectra of (hydroxypyridin-3-yl-methyl)phosphonic acid
Katarzyna Lipska
Journal of Molecular Structure, 2003
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