Bildiri Listesi

A DFT Study on Molecular Structure of Gallic Acid

A Manganese(III) Transition Metal Complex: Synthesis, Crystal Structure, Spectroscopic Characterization and Nonlinear Optical Properties

Calculations of Static and Frequency-Dependent Polarizabilities and First Hyperpolarizabilities of FeL(MeOH)Cl]2 (L=N-(5-methylphenyl)-3-methoxysalicylaldimine)

Çeşitli Alıcı-Verici Grubu İçeren Schiff Bazlarının Çizgisel Olmayan Optiksel Özellikleri Üzerine Substituent Etkileri: Sentez, X-Işınları Kırınımı, Spektroskopik Yöntemler ve Ab-Initio Kuantum Mekaniksel Hesaplamalar

Çok Merkezli İntegrallerin Binom Katsayıları Kullanılarak Hesaplanması

Comparison between quantum mechanical computations of NLO properties and experimental data in selected functionalized azo-dyes

Computational Studies on Electric Dipole Moment and Quadratic Hyperpolarizability of (5-bromopyridine-2,3-diyl)bis(salicylideneamin)

Computational Studies on Linear and Third-Order Nonlinear Optical Phenomena of Dipolar Subunits Described for an Octupolar System

Computational Study Of Dipole Polarizability And First Hyperpolarizability Of Tolane Chromophore With Hydroxy And Cyano

Computational Study on Dipole Polarizabilities and One-photon Absorption Wavelengths of Ethylenic Linkage with Donor-acceptor Substituents

Computational study on second-order nonlinear optical behaviour of 4-(2-pyridylazo)resorcinol

Computation of Two-Center Coulomb Integrals over Slater-Type Orbitals Using Auxiliary Functions

Computations on Static Linear Polarizability, First Hyperpolarizability, First and Second Frontier Molecular Orbitals of N-(4-aminobenzenesulfonyl) Acetamide

Crystal structure and nonlinear optical behavior of N-(2 or 3-nitrobenzalidene)2,4-dimethylaniline

Crystal structure and nonlinear optical properties of N-(3-hydroxybenzalidene)4-bromoaniline

Determination of Dipole Polarizabilities and Second Hyperpolarizabilities in Alkynyl-Ruthenium Complexes Using Quantum-Chemical Calculations

DFT Methodologies for Computing Dipole Polarizabilities, First and Second Frontier Molecular Orbital Energies of Methyl-3-(pnitrophenyl) Carbazate

DFT Studies on Vertical Transition Wavelengths, Electric Dipole Moments, First and Second Frontier Molecular Orbitals of 4-Amino-4-Nitro Diphenyl Sulfide

DFT Study on Molecule and radical structures of propyl gallate

Dynamic Second Hyperpolarizabilities Of 5,17, Di-Tert-Buthyl-11,23-Diformyl-26,28-Dimetoxycalix [4] Arene-25,27- Diol(Aldehyde)

Electric Dipole Moment and Static First Hyperpolarizability Values of 4-(2-Pyridylazo)resorcinol: High Accuracy Density Functional Theory Computations

Linear and Nonlinear Optical Behavior of 5,17, Di-Tert-Buthyl-11,23-Diformyl-26,28-Dimetoxycalix [4] Arene-25,27-Diol (Aldehyde)

Linear and Second-order Nonlinear Optical Behaviour of Fluorine Substituted Thienyl Chalcone

Linear Optical Behaviour Of Phenylpyridylacetylene Derivative: Computational Studies On One-Photon Absorption Wavelengths And Static Dipole Polarizability