Computational study of the intermolecular interactions and their effect on the UV-visible spectra of the ternary liquid mixture of benzene, ethanol and propylene glycol

A Single‐Benzene‐Based Fluorophore: Optical Waveguiding in the Crystal Form

(2019) Eunbee Cho et al.   ChemPlusChem

Ultrasonic Study of Effect of Temperature and Concentration on Molecular Interaction in Ternary Liquid Mixture (Propylene Glycol + Benzene + Ethanol)

(2019) Hema et al.   ASIAN JOURNAL OF CHEMISTRY

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

(2019) Benjamin P. Pritchard et al.   Journal of Chemical Information and Modeling

Modeling absorption spectra of molecules in solution

(2018) Tim J. Zuehlsdorff et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The importance of specific solvent–solute interactions for studying UV–vis spectra of light-responsive molecular switches

(2018) Dušan Dimić   COMPTES RENDUS CHIMIE

Vibrational-electronic properties of intra/inter molecular hydrogen bonded heterocyclic dimer: An experimental and theoretical study of pyrrole-2-carboxaldehyde

(2017) Meenakshi Rana et al.   VIBRATIONAL SPECTROSCOPY

Engineering π–π interactions for enhanced photoluminescent properties: unique discrete dimeric packing of perylene diimides

(2017) Yu Shao et al.   RSC Advances

Density functional study of spectroscopy, electronic structure, linear and nonlinear optical properties of l -proline lithium chloride and l -proline lithium bromide monohydrate: For laser applications

(2015) Haider Abbas et al.   Arabian Journal of Chemistry

Theoretical study on the polar hydrogen-π (Hp-π) interactions between protein side chains

(2013) Qi-Shi Du et al.   Chemistry Central Journal

Intramolecular H-bonding interaction in angular 3-π-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference

(2013) Manuel Velázquez-Ponce et al.   Chemistry Central Journal

The calculations of excited-state properties with Time-Dependent Density Functional Theory

(2012) Carlo Adamo et al.   CHEMICAL SOCIETY REVIEWS

Supramolecular assembled of hexameric water clusters into a 1D chain containing (H2O)6 and [(H2O)4O2] stabilized by hydrogen bonding in a copper complex

(2012) Masoumeh Tabatabaee   Chemistry Central Journal

Absorption spectra of PTCDI: A combined UV–Vis and TD-DFT study

(2012) Mircea Oltean et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Spectroscopic Study of Solvent Effects on the Electronic Absorption Spectra of Flavone and 7-Hydroxyflavone in Neat and Binary Solvent Mixtures

(2011) Matias I. Sancho et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Electronic structure study using density functional theory in organic dendrimers

(2010) Rocio-Margarita Gutiérrez-Pérez et al.   JOURNAL OF MOLECULAR MODELING

Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family

(2008) Dennis R Livesay et al.   Chemistry Central Journal