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FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3,5-dimethyl-4-methoxybenzoic acid
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization
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Molecular polarization potential maps of the nucleic acid bases
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Infrared Spectroscopy: Fundamentals and Applications
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Handbook of Vibrational Spectroscopy
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Infrared and Raman Spectroscopy
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Molecular Electrostatic Potentials
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Introduction to infrared and Raman spectroscopy
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Introduction to Infrared and Raman Spectroscopy
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Advances in Quantum Chemistry
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Infrared and Raman Spectroscopy: Principles and Spectral Interpretation
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X-ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate
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Experimental (FT-IR and FT-Raman spectra) and theoretical (ab initio HF, DFT) study of 2-chloro-5-methylaniline
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The spectroscopic (FTIR, FT-Raman, UV and NMR), first-order hyperpolarizability and HOMO–LUMO analysis of 4-amino-5-chloro-2-methoxybenzoic acid
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FT-Raman, FT-IR, UV spectra and DFT and ab initio calculations on monomeric and dimeric structures of 3,5-pyridinedicarboxylic acid
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Experimental and theoretical study on benzoic acid derivatives
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Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical study
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FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine
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FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4,5-difluorobenzoic acid
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FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations
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Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study
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The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods
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Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations
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FT-IR, UV–vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: A combined experimental and theoretical analysis
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FT-IR, FT-Raman, NMR and UV–vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid
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FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid
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The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO–LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid
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Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations
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Molecular structure and vibrational study on 2,3-dihydro-1H-indene and its derivative 1H-indene-1,3(2H)-dione by density functional theory calculations
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Activation of the reticulothalamic cholinergic pathway by the major metabolites of aniracetam
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Antioxidant activity and mechanism of action of some phenolic acids at ambient and high temperatures
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Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab initio calculations of S-methyl-N,N-dimethylthiocarbamate
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Molecular Electrostatic Potentials - Concepts and Applications
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Accurate prediction of static dipole polarizabilities with moderately sized basis sets
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Static Dipole Polarizabilities of Organic Molecules. Ab Initio Calculations and a Predictive Model
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Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical Force Fields
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Hyperpolarizability of GaAs dimer is not negative
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Density-functional thermochemistry. III. The role of exact exchange
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Protein structure determination from NMR chemical shifts
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Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline
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Raman, FT-IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles
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Self-Consistent Equations Including Exchange and Correlation Effects
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Effect of Parthenium hysterophorus on nitrogen-fixing and nitrifying bacteria
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Tyrosinase Inhibition Kinetics of Anisic Acid
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