Dipole moments
Estimation of Ground and Excited State Dipole Moments of Coumarin Derivatives by Solvatochromic Method
... The ground state dipole moments of these two molecules were calculated by quantum chemical calculations. All the computations were carried out using Gaussian 03 program on a Pentium- 4 PC and the basis set ...
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Radiative τ leptonic decays and the possibility to determine the τ dipole moments
... its dipole moments and indeed it has so far prevented the direct measurement of the g − 2 by means of the τ spin pre- cession in a magnetic field, like in the electron and muon g − 2 ...
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Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab Initio Calculations
... However, the two methods with three basis sets show that the order of in- creasing the dipole moments values of the three compounds is: Diphenhydra- mine < Paracetamol < Pseudoephedrine. For instance, ...
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Second harmonic generation at the quantum-interference induced transparency in semiconductor quantum wells: The influence of permanent dipole moments
... permanent dipole moments neglected or accounted ...permanent moments affect the optimal conversion length, though not so drastically as the conversion ...
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Machine learning for the prediction of molecular dipole moments obtained by density functional theory
... However, DFT calculations are still computationally too demanding for most large-scale virtual screening explorations, or for the incorporation in fast QSAR or QSPR models. Alternatives have been proposed includ- ing the ...
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Structures, Lipophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non Steroidal Anti Inflammatory Drugs Diclofenac, Bromfenac and Amfenac: A Theoretical Study
... the dipole moment shows that diclofenac is more polar than bromfenac followed by ...The dipole moments increase with the polarity of the me- ...
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The Angular Momenta Dipole Moments and Gyromagnetic Ratios of the Electron and the Proton
... We have obtained the dipole moments angular momenta and gyromagnetic ratios of the electron and the proton using the analytical formulae developed in [1]. In the case of the electron, the value of P found ...
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Study On Solvent Effect And Estimation Of Dipole Moments Of An Organic Fluorophore
... electric dipole moment of molecules in the excited ...electric dipole moment of electronically excited molecules is useful in designing nonlinear optical materials [9], in elucidation of the nature of the ...
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Search for electric dipole moments in storage rings
... The fact that we and the world around us are made of matter and only a minimal amount of antimatter is observed, constitutes one of the fundamental puzzles in modern physics, motivating a variety of theoretical ...
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Searching for t -> c(u)h with dipole moments
... The main goal of this paper is to derive and to compare the direct and indirect con- straints that apply in the case of the t → c(u)h transitions. Our particular focus will thereby be on CP-violating observables such as ...
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Search for electric dipole moments
... of βc = 0.766c ≈ 23 cm/ns from the µE1 beamline at PSI and a storage ring made of a very uniform, weakly fo- cusing dipole magnet with a field of ~ B = 1.5 T. In the case of an EDM (η , 0) the spin will start to ...
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The Surface Reactivity of Pure and Monohydrogenated Nanocones Formed from Graphene Sheets
... The dipole moments are calculated and are used as indicator for the surface reactivity [27] [28] where the high values of the dipole moments indicate the high surface reactivity and vice ...
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Dielectric Studies on Polar Binary Mixtures of p-Hydroxy Dodecyl Benzoate and Isoproponal
... times, dipole moments for various concentrations at room temperature of p-hydroxy dodecyl benzoate (12HB) with Isopropanol in benzene studies indicated the formation of hydrogen bond in the ...the ...
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Imipramine Drug Delivery Via Swbnnts and Dwcnts: NMR and Solvent Effect
... their dipole moments and relative energies have been studied by molecular dynamics simulation and quantum mechanics calculations within the Onsager self - consistent reaction field (SCRF) model using a ...
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Studies on Photophysical Properties of Mono-Carbonyl Curcumin Analogues: Experimental and Theoretical Approach
... state dipole moments were estimated experimentally by Bilot-Kawski equation which is a function of Stokes shift with the solvent polarity parameters and Guggenheim method and theoretically by TD-DFT ...
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Synthesis, Characterization, Physicochemical and Electrochemical Studies of Novel Donor Acceptor Chromophores
... in dipole moments ( ) between the excited singlet and ground state were calculated from the slop of plot of Stokes shifts ( ss ) and orientation polarizability of the solvent (f) as ...
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Analysis Of Two Fluorescent Molecules Properties Using Solvatochromic Shift Method
... state dipole moment ( g ) for both the coumarins. The increase in dipole moment in the excited singlet states range between about ...state dipole moments results are correlated (experimental ...
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A theoretical and experimental study on the potential luminescent and biological activities of diaminodicyanoquinodimethane derivatives.
... During the last years, significant progress has been made in this matter, resulting in the synthesis of a great variety of AIE luminogens (AIEgens), capable of emitting at different wavelengths. This has not only brought ...
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Spectral Investigations of Protonated Naphthalene using Density Functional Theory
... Three distinct protonation sites on naphthalene are possible, as shown in Figure 1. Density functional theory (DFT) calculations were performed for all the three isomers of Protonated Naphthalene α- NpH + , β- NpH + and ...
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Experimental Investigation of the Effect of an Electric Field on the Viscosity of Liquids
... crease the viscosity of all liquids with dipole moments, while the liquids without moments in general showed no effect... was found that the change in viscosity varies with the shearing [r] ...
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