Synthesis, Characterization, Hirshfeld Surface Analysis, DFT Study and Molecular Docking of 1,3‐Bis(4‐chlorophenyl)‐ 5‐(4‐chlorobenzyl)‐1,3,5‐triazinane

Functionalized Triazines and Tetrazines: Synthesis and Applications

(2022) Joydip Mondal et al.   Topics in Current Chemistry

Design and Synthesis of N-Substituted 3,4-Pyrroledicarboximides as Potential Anti-Inflammatory Agents

(2021) Aleksandra Redzicka et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Synthesis, characterization, Hirshfeld surface analysis, DFT calculations and antibacterial activity evaluation of a new unsymmetrically substituted 1,3,5-triazacyclohexane

(2021) Meriem HADJAM et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, growth, optical and third order nonlinear optical properties of l-Phenylalanine d-Mandelic acid single crystal for photonic device applications

(2020) P. Jayaprakash et al.   Journal of Materials Science: Materials in Electronics

Spectroscopic and structural investigations on modafinil by FT-IR, FT-Raman, NMR, UV–Vis and DFT methods

(2019) S. Selvaraj et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Growth and characterization of barium complex of 1,3,5-triazinane-2,4,6-trione in gel: a corrosion inhibiting material

(2018) R. Divya et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Growth and characterization of dl -Mandelic acid (C 6 H 5 CH(OH)CO 2 H) single crystal for third-order nonlinear optical applications

(2017) P. Jayaprakash et al.   JOURNAL OF MOLECULAR STRUCTURE

New unsymmetrically substituted triazacyclohexanes: Synthesis, characterisation, antimicrobial properties and DFT study

(2017) Mahmoud Chebbah et al.   JOURNAL OF MOLECULAR STRUCTURE

A comparative study of two novel unsymmetrically substituted triazacyclohexanes

(2017) Hanane Lamraoui et al.   JOURNAL OF MOLECULAR STRUCTURE

Cleavage of carbon–nitrogen bond in 1,3,5-tri- tert -butyl-1,3,5-triazacyclohexane by copper(I) bromide

(2016) Suman Khatua et al.   JOURNAL OF MOLECULAR STRUCTURE

Diene hydroaminomethylation via ruthenium-catalyzed C–C bond forming transfer hydrogenation: beyond carbonylation

(2016) Susumu Oda et al.   Chemical Science

NMR, FT-IR, FT-Raman, UV spectroscopic, HOMO–LUMO and NBO analysis of cumene by quantum computational methods

(2015) T. Sivaranjani et al.   JOURNAL OF MOLECULAR STRUCTURE

Comment on “Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid”

(2015) Igor Reva   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV–Vis spectral studies of 3-fluorophenylboronic acid

(2015) M. Karabacak et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

SHELXT– Integrated space-group and crystal-structure determination

(2015) George M. Sheldrick   Acta Crystallographica A-Foundation and Advances

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Estrogen receptors alpha (ERα) and beta (ERβ): Subtype-selective ligands and clinical potential

(2014) Ilaria Paterni et al.   STEROIDS

In silico methods to predict drug toxicity

(2013) Alessandra Roncaglioni et al.   CURRENT OPINION IN PHARMACOLOGY

Breast cancer: Current and future endocrine therapies

(2013) Carlo Palmieri et al.   MOLECULAR AND CELLULAR ENDOCRINOLOGY

The development of endocrine therapy for women with breast cancer

(2012) Richard Sainsbury   CANCER TREATMENT REVIEWS

Novel Aromatase Inhibitors by Structure-Guided Design

(2012) Debashis Ghosh et al.   JOURNAL OF MEDICINAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY