Related references
Note: Only part of the references are listed.Plasmonic Photoelectrochemical Coupling Reactions of para-Aminobenzoic Acid on Nanostructured Gold Electrodes
Rajkumar Devasenathipathy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)
INTERACTION OF VALINE WITH WATER MOLECULES: RAMAN AND DFT STUDY
A. Jumabaev et al.
UKRAINIAN JOURNAL OF PHYSICS (2022)
DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO-LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis
Feride Akman et al.
POLYMER SCIENCE SERIES B (2022)
Synthesis, structural properties and potent bioactivities supported by molecular docking and DFT studies of new hydrazones derived from 5-chloroisatin and 2-thiophenecarboxaldehyde
Muhammad Arshad et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Understanding and Designing Tailor-Made Additives for Controlling Nucleation: Case Study of p-Aminobenzoic Acid Crystallizing from Ethanolic Solutions
Peter L. Kaskiewicz et al.
CRYSTAL GROWTH & DESIGN (2021)
Solid-liquid equilibrium behavior and thermodynamic analysis of p-aminobenzoic acid using experimental measurement and molecular dynamic simulation
Zongqiu Li et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2,1-benzothiazine based hydrazone derivatives
Shakeel Ahmad et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Intermolecular interaction study of L-Threonine in polar aprotic Solvent: Experimental and theoretical study
Neelam Chetry et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies
Muhammad Naeem Ahmed et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies
Gulraiz Ahmad et al.
ARABIAN JOURNAL OF CHEMISTRY (2021)
Vibrational study on the molecular interaction of L-Proline and Para-Aminobenzoic acid
Bhargab Borah et al.
JOURNAL OF MOLECULAR STRUCTURE (2020)
Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n=1, ..., 5): X-ray, DFT, NBO, AIM, and RDG analyses
Feride Akman et al.
JOURNAL OF MOLECULAR MODELING (2020)
Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid
Isha Singh et al.
MOLECULAR SIMULATION (2019)
A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c] carbazole
Nesimi Uludag et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Raman spectra and ab initio calculation of a structure of aqueous solutions of methanol
H. A. Hushvaktov et al.
JOURNAL OF MOLECULAR STRUCTURE (2017)
Effects of microsolvation on a SN2 reaction: indirect atomistic dynamics and weakened suppression of reactivity
Li Yang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate
Yusuf Sert et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Effects of Microhydration on the Electronic Properties of ortho-Aminobenzoic Acid
Vanusa Bezerra Pacheco et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
An Ab Initio Quantum Chemical Characterization of Structure and Vibrational Spectra of Anthranilic Acid
Bruna C. M. Maciel et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol
Basak Kosar et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2011)
Theoretical Infrared Line Shapes of H-Bonds Within the Strong Anharmonic Coupling Theory and Fermi Resonances Effects
Noureddine Issaoui et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Definition of Molecular Structure: By Choice or by Appeal to Observation?
Richard F. W. Bader
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Anharmonic Effects on Theoretical IR Line Shapes of Medium Strong H(D) Bonds
Noureddine Issaoui et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Solvent Effects in Optical Spectra of ortho-Aminobenzoic Acid Derivatives
Marcelo Takara et al.
JOURNAL OF FLUORESCENCE (2009)
IR spectral density of H-bonds.: Both intrinsic anharmonicity of the fast mode and the H-bond bridge.: Part I:: Anharmonic coupling parameter and temperature effects
Najeh Rekik et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Infrared spectral density of hydrogen bonds within the strong anharmonic coupling theory:: Quadratic dependence of the angular frequency and the equilibrium position of the fast mode
Najeh Rekik et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Chemical potential - a quantity in search of recognition
G Job et al.
EUROPEAN JOURNAL OF PHYSICS (2006)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
Experimental and theoretical IR, Raman, NMR spectra of 2-, 3- and 4-aminobenzoic acids
M Samsonowicz et al.
JOURNAL OF MOLECULAR STRUCTURE (2005)
Theoretical and experimental studies of water complexes of p- and o-aminobenzoic acid
YG He et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
General and specific solvent effects in optical spectra of ortho-aminobenzoic acid
M Takara et al.
JOURNAL OF FLUORESCENCE (2005)
Quantum mechanical basis for Mulliken population analysis
R Carbó-Dorca et al.
JOURNAL OF MATHEMATICAL CHEMISTRY (2004)
Hydrogen atom. dislocation in the excited state of anthranilic acid: probing the carbonyl stretch fundamental and the effects of water complexation
JA Stearns et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Effects of microsolvation on the structures and reactions of neutral and zwitterion alanine: Computational study
DS Ahn et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Electronic and infrared spectroscopy of anthranilic acid in a supersonic jet
CA Southern et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Ortho-aminobenzoic acid-labeled bradykinins in interaction with lipid vesicles: Fluorescence study
RF Turchiello et al.
BIOPOLYMERS (2002)
Van der Waals radii of elements
SS Batsanov
INORGANIC MATERIALS (2001)
Behavior of ylides containing N, O, and C atoms as hydrogen bond accepters
I Rozas et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)