Related references
Note: Only part of the references are listed.Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N-(4-chloro-24[2-(1H-indol-2-ylcarbonyl)hydrazinyl](oxo)acetyl}phenyl)acetamide.DMSO: A new antiproliferative agent
Reem I. Al-Wabli et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
On the molecular structure, vibrational spectra, HOMO-LUMO, molecular electrostatic potential, UV-Vis, first order hyperpolarizability, and thermodynamic investigations of 3-(4-chlorophenyl)-1-(1yridine-3-yl) prop-2-en-1-one by quantum chemistry calculations
Rachida Rahmani et al.
JOURNAL OF MOLECULAR STRUCTURE (2018)
Synthesis, crystal growth, structure and characterization of a novel third order nonlinear optical organic single crystal: 2-Amino 4,6-Dimethyl Pyrimidine 4-nitrophenol
P. Karuppasamy et al.
OPTICAL MATERIALS (2018)
Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method
Christina Susan Abraham et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2017)
Growth and characterization of semi-organic third order nonlinear optical (NLO) potassium 3,5-dinitrobenzoate (KDNB) single crystals
P. Karuppasamy et al.
RSC ADVANCES (2016)
Synthesis, spectroscopic characterization and structural investigation of a new charge transfer complex of 2,6-diaminopyridine with 4-nitrophenylacetic acid: Antimicrobial, DNA binding/cleavage and antioxidant studies
Venkatesan Murugesan et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
Structural, electrical, ferroelectric and mechanical properties with Hirshfeld surface analysis of novel NLO semiorganic sodium p-nitrophenolate dihydrate piezoelectric single crystal
Jyoti Dalal et al.
RSC ADVANCES (2015)
New acentric materials constructed from aminopyridines and 4-nitrophenol
Sergiu Draguta et al.
CRYSTENGCOMM (2013)
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
S. Muthu et al.
JOURNAL OF MOLECULAR STRUCTURE (2013)
6,6′-Dimethylsulfinyl-2,2′-bipyridine: crystal structure and Hirshfeld surface analysis
Ewa Rozycka-Sokolowska et al.
JOURNAL OF SULFUR CHEMISTRY (2013)
Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods
E. Isac Paulraj et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2013)
Vibrational energy distribution analysis (VEDA): Scopes and limitations
Michal H. Jamroz
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2013)
Non-critical phase-matching fourth harmonic generation of a 1053-nm laser in an ADP crystal
Shaohua Ji et al.
SCIENTIFIC REPORTS (2013)
A study of the optical bandgap energy and Urbach tail of spray-deposited CdS:In thin films
Shadia Jamil Ikhmayies et al.
Journal of Materials Research and Technology-JMR&T (2013)
Growth and characterization of a nonlinear optical crystal-2,6-diaminopyridinium 4-nitrophenolate 4-nitrophenol (DAPNP)
Tianliang Chen et al.
JOURNAL OF CRYSTAL GROWTH (2012)
Conformational stability, vibrational spectral studies, HOMO-LUMO and NBO analyses of 2-hydroxy-4-methyl-3-nitropyridine and 2-hydroxy-4-methyl-5-nitropyridine based on density functional theory
V. Balachandran et al.
JOURNAL OF MOLECULAR STRUCTURE (2012)
Density functional calculations of the electronic structure of 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione
Ali Hussain Reshak et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Spectroscopic analysis and DFT calculations of a food additive Carmoisine
M. Snehalatha et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2009)
cclib: A library for package-independent computational chemistry algorithms
Noel M. O'Boyle et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Dependences of laser-induced bulk damage threshold and crack patterns in several nonlinear crystals on irradiation direction
H Yoshida et al.
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS (2006)
Unidirectional seeded single crystal growth from solution of benzophenone
K Sankaranarayanan et al.
JOURNAL OF CRYSTAL GROWTH (2005)
SHG active salts of 4-nitrophenolate with H-bonded helical formations: Structure-directing role of ortho-aminopyridines
MJ Prakash et al.
CRYSTAL GROWTH & DESIGN (2005)
First local minimum of the formic acid dimer exhibits simultaneously red-shifted O-H center dot center dot center dot O and improper blue-shifted C-H center dot center dot center dot O hydrogen bonds
J Chocholousova et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Electronic structure and spectral, of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods
SI Gorelsky et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2001)
Share Paper
