Nature Of Transition Research Articles

What does the future hold for Italian universities? Critical perspectives from Bernard Stiegler

ABSTRACT This article aims to provoke thoughtful reflection on the university’s raison d'être and the factors contributing to its current state of crisis in an era marked by efficiency and rapid technological advancements. Drawing inspiration from Bernard Stiegler’s philosophical ideas, it explores potential new roles for the university within the current educational context, with a particular focus on the Italian case. Given the transitory nature of the industrial model inherited from the twentieth century, the discussion, framed through a pedagogical lens, addresses how higher education can be reoriented to foster critical thinking and promote societal and moral transformation amid neoliberal reforms and technological progress. It also highlights the importance of de-proletarianisation in education as a means to counter the limited perspectives perpetuated by marketisation.

Does the Traditional Band Picture Correctly Describe the Electronic Structure of n-Doped Conjugated Polymers? A TD-DFT and Natural Transition Orbital Study.

Doped conjugated polymers have a variety of potential applications in thermoelectric and other electronic devices, but the nature of their electronic structure is still not well understood. In this work, we use time-dependent density functional theory (TD-DFT) calculations along with natural transition orbital (NTO) analysis to understand electronic structures of both p-type (e.g., poly(3-hexylthiophene-2,5-diyl), P3HT) and n-type (e.g., poly{[N,N'-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)}, N2200) conjugated polymers that are both p-doped and n-doped. Of course, the electronic transitions of doped conjugated polymers are multiconfigurational in nature, but it is still useful to have a one-electron energy level diagram with which to interpret their spectroscopy and other electronic behaviors. Based on the NTOs associated with the TD-DFT transitions, we find that the "best" one-electron orbital-based energy level diagram for doped conjugated polymers such as P3HT is the so-called traditional band picture. We also find that the situation is more complicated for donor-acceptor-type polymers like N2200, where the use of different exchange-correlation functionals leads to different predicted optical transitions that have significantly less one-electron character. For some functionals, we still find that the "best" one-electron energy level diagram agrees with the traditional picture, but for others, there is no obvious route to reducing the multiconfigurational transitions to a one-electron energy level diagram. We also see that the presence of both electron-rich and electron-poor subunits on N2200 breaks the symmetry between n- and p-doping, because different types of polarons reside on different subunits leading to different degrees of charge delocalization. This effect is exaggerated by the presence of dopant counterions, which interact differently with n- and p-polarons. Despite these complications, we argue that the traditional band picture suffices if one wishes to employ a simple one-electron picture to explain the spectroscopy of n- and p-doped conjugated polymers.

Declined Singletbut Constant TripletEnergy: Thermally Activated Delayed Fluorescence with Triplet Blocking Effect.

Thermally activated delayed fluorescence (TADF) molecules have been widely investigated in organic light emitting diodes, etc. Small singlet-triplet energy gapand high radiative constantsare desired. The prevalent TADF molecules are via donor-acceptor molecular design, whichis at the expense of reducing radiative constants. Herein, we demonstrated a new singlet-triplet energy gap modulation approach to construct TADF with high radiative constant, based on triplet blocking effect, i.e., the extension of conjugation of a triplet constrainer (IB) leads to a gradually red-shifted singletbut a constant tripletenergy, and therefore reduced singlet-triplet energy gap controlled from monomer (IB), monomer-linker (IB-BF2), to dimer of IB-BF2-IB. The natural transition orbital analysis indicates that singletstate is delocalized while tripletstate is localized as confirmed by time resolved electron paramagnetic resonance spectroscopy. Therefore, the singlet-triplet energy gap is reduced from 0.60 eV, 0.46 eV to 0.25 eV, while keeping faster radiation rate (around 10^8/s) than that of conventional donor-acceptor molecules (10^6 ~ 10^7/s). As a result, the emission mechanisms are regulated from fluorescence for IB, phosphorescence/TADF dual emissions for IB-BF2 to TADF for IB-BF2-IB. This paper proposed a new approach of singlet-triplet energy gap modulation, which is crucial for fundamental photophysics and material science.

Numerical investigation on effect of non-parallelism on natural transition in boundary layers around underwater axisymmetric bodies

For both fluid mechanics and practical engineering problems, it is important to study the effect of non-parallelism on the natural transition in boundary layers around underwater axisymmetric bodies. This paper develops the method of harmonic linearized Navier–Stokes (HLNS) equations for such boundary layers. The method can be used to study the evolution of small disturbances considering the non-parallelism of the basic flow. Based on the results of the HLNS equations, the transition positions of the boundary layers are predicted by the eN method. Because traditional linear stability theory (LST) neglects non-parallelism, the difference between the results using the HLNS method and those given by LST represents the effects of non-parallelism. Numerical calculations are performed for five classical forebody shapes, and the effect of non-parallelism is identified. (i) At each streamwise location, non-parallelism suppresses low-frequency disturbances while promoting high-frequency ones. The influence on high-frequency disturbances is more obvious. (ii) The effect of non-parallelism on the neutral curve focuses on the region near the critical instability position. Non-parallelism slightly delays the critical instability position for most forebody shapes and pushes the unstable zone toward the high-frequency direction while broadening its frequency bandwidth. (iii) The streamwise range at each growth-rate level is widened, implying that non-parallelism destabilizes the boundary layers. (iv) The transition occurs earlier, indicating that non-parallelism promotes the transition. (v) Non-parallelism shifts the dangerous frequency band toward the high-frequency direction. (vi) Non-parallelism enhances the wall pressure fluctuations (WPF) in the unstable laminar zone.

EUROPEAN SCEPTICISM AND ANTI-AMERICANISM IN THE EURO-ATLANTIC POLITICAL PROCESS IN THE EARLY TWENTIETH CENTURY

The article is devoted to a comparative analysis of the development of European scepticism and anti-Americanism in the public political process in the United States and the European Union. In the countries of the European Union, the term European scepticism refers to a negative attitude towards the process of European integration and its functional result in the form of the European Union. In the United States, mostly in ultra-conservative circles, European scepticism refers to a critical attitude towards the EU as the embodiment of the liberal democracy project. Anti-Americanism as an ideological attitude is present not only in European far-left political circles, but also in European far-right political circles. In the United States, the ideology of anti-Americanism was clearly manifested in the Black Lives Matter movement. European scepticism and anti-Americanism are actively used by Russian and Chinese propaganda as signs of an allegedly inevitable crisis of the ‘collective West’ and a ‘natural transition’ to a multipolar world in which Western democracies will not be crucial for further development. The conclusions emphasise that populist diseases of liberal democracies are actively used by autocracies to discredit the democratic experience of political life. At the same time, Russia, Iran, and China are trying to take advantage of discourses on scenarios of the US isolation from active foreign policy and the European Union's self-restrictions in pursuing its own common foreign policy and impose their own versions of ‘hybrid wars’, pushing Western influence out of key regions of Eastern Europe, the Middle East, and Southeast Asia. In view of this, the transfer of ideas of anti-Americanism and European scepticism from the circle of leading trends in public political life to its deep periphery can actually ensure greater stability not only for liberal democracies, but also for modern international relations.

Heterotopically differentiated PDLSCs-laden 3D bioprinting scaffolds for concurrent oral hard and soft tissue regeneration

Following dental extraction, the alveolar bone and gingival tissues could undergo varying degrees of resorption, affecting subsequent implant integration and aesthetic outcomes. Adequate volume of both hard and soft tissues is essential for optimal results. Three-dimensional (3D) bioprinting technology offers the advantages of biomimicry, personalization, and precise spatial distribution, which are pivotal for enhancing the success and esthetics of dental restorations. In this study, we fabricated a construct with a natural transition and varying material concentrations by 3D bioprinting, comprising an upper layer of Collagen/Alginate/periodontal ligament stem cells (PDLSCs) and a lower layer of Collagen/nano-hydroxyapatite (nHA)/Alginate/PDLSCs. Characterization of the physicochemical properties revealed that the incorporation of nHA significantly enhanced the mechanical properties of both the bioink and the construct. Flow cytometry analysis confirmed the stemness of PDLSCs. Scanning electron microscopy (SEM) revealed that the construct possesses satisfactory pore density and a natural transition at the stratification point. The construct displayed good cell viability and proliferation, with the cellular movement observed at the stratification interface after bioprinting. Differentiation staining and quantitative reverse transcription-polymerase chain reaction (RT-qPCR) results demonstrated that PDLSCs within the 3D construct are capable of both osteogenic and fibroblastic differentiations. Ectopic transplantation in mice confirmed the biocompatibility of the construct. A rat tooth extraction model validated the construct's effectiveness in the integrated regeneration of both hard and soft tissues in alveolar ridge preservation (ARP). In conclusion, this personalized, concentration-varied 3D construct exhibits excellent biocompatibility and tissue preservation effects, holding significant potential for clinical application.  

Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory

An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the effective operator formalism and consists of the direct substitution of the FS CC Ansatz for a wave operator into the effective operator expression with the subsequent truncation of expansion at the terms quadratic in cluster amplitudes. The final density matrix is defined by active-space density matrices of different ranks ‘dressed’ with contributions from cluster operators. The method gives a connected expression for pure-state density matrices, provided that the intermediate normalisation condition is fulfilled. Moreover, under some additional assumptions, the connectivity can also be ensured for calculated transition property matrix elements and natural transition spinors. The developed technique allows for fast and accurate calculations of one-particle reduced density matrices for a wide range of electronic states. A pilot application of the new technique to construct averaged atomic natural orbital (ANO) basis sets for fully relativistic electronic structure calculations is presented.

Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster Calculations.

Multilevel coupled cluster theory offers reduced scaling computation of intensive properties in systems that are too large for standard coupled cluster calculations. A significant benefit of the multilevel coupled cluster framework is the possibility of calculating intensive properties that are not tightly localized if an appropriate set of active orbitals is used. Correlated natural transition orbitals (CNTOs) are tailored to describe excitation processes. For multilevel coupled cluster singles and doubles (MLCCSD) and singles and perturbative doubles (MLCC2) calculations, the construction of CNTOs generally becomes the computational bottleneck. Here, we demonstrate how CNTOs can be obtained with operations, eliminating the -scaling steps involved in the original approach. This reduction in scaling moves the bottleneck of MLCC2 and MLCCSD calculations from the active orbital space preparation to the MLCC2 and MLCCSD equations with -scaling.

Dual Sulfone-Bridged Triphenylamine Heteroaromatics for High-Performance Blue Organic Electroluminescence.

Polycyclic heteroaromatics (PHAs) are a highly versatile class of functional materials, especially applicable as efficient luminophores in organic light-emitting diodes (OLEDs). Those constructed by tethered phenyl surrounding the main group center attract extensive attention due to their excellent OLED device performance. However, the development of such a class of emitters is often limited to boron, nitrogen-doped π-conjugated heterocycles. Herein, we proposed a novel kind of blue emitter by constructing a donor-acceptor molecular configuration, utilizing a dual sulfone-bridged triphenylamine (BTPO) core and mono/di-diphenylamine (DPA) substituents. The twisted D-A molecular structures and appropriate donor strength facilitate the effective separation of natural transition orbitals, endowing the emitters with charge-transfer dominant hybridized local and charge-transfer characteristics for the excited states. Both BTPO-DPA and BTPO-2DPA own small S1-T1 splitting energy, thus demonstrating blue thermally activated delayed fluorescence. The more symmetrical structure and enhanced CT features brought by additional DPA moiety confer BTPO-2DPA with a shorter delayed fluorescence lifetime, a higher fluorescence quantum yield and narrower emission. Therefore, BTPO-2DPA based OLED devices exhibit superior blue electroluminescence performance, with external quantum efficiencies reaching 12.31 %.

Importance of Orbital Invariance in Quantifying Electron-Hole Separation and Exciton Size.

A fundamental tenet of quantum mechanics is that properties should be independent of representation. In self-consistent field methods such as density functional theory, this manifests as a requirement that properties be invariant with respect to unitary transformations of the occupied molecular orbitals and (separately) the unoccupied molecular orbitals. Various ad hoc measures of excited-state charge separation that are commonly used to analyze time-dependent density-functional calculations violate this requirement, as they are based on incoherent averages of excitation amplitudes rather than expectation values involving coherent superpositions. As a result, these metrics afford markedly different values in various common representations, including canonical molecular orbitals, Boys-localized orbitals, and natural orbitals. Numerical values can be unstable with respect to basis-set expansion and may afford nonsensical results in the presence of extremely diffuse basis functions. In contrast, metrics based on well-defined expectation values are stable, representation-invariant, and physically interpretable. Use of natural transition orbitals improves the stability of the incoherent averages, but numerical values can only be interpreted as expectation value in the absence of superposition. To satisfy this condition, the particle and hole density matrices must each be dominated by a single eigenvector so that the transition density is well described by a single pair of natural transition orbitals. Counterexamples are readily found where this is not the case. Our results suggest that ad hoc charge-transfer diagnostics should be replaced by rigorous expectation values, which are no more expensive to compute.

Chromium Complex of Macrocyclic Ligands as Precursor for Nitric Oxide Release: A Theoretical Study.

Our research on the chromium complex of macrocyclic ligands as a precursor for nitric oxide release makes a significant contribution. We detailed the analysis of nitrito chromium complexes, specifically trans-[M(III)L1-5(ONO)2]+, M=Cr(III) and L1-L5represent different ligands: L1=1,4,8,11-tetraazacyclotetradecane, L2= (5,7-dimethyl-6-benzylcyclam), L3=(5,7-dimethyl-6-anthracylcyclam), L4= (5,7-dimethyl-6-(p-hydroxymethylbenzyl)-1,4, 8,11-cyclam) and L5= (5,7-dimethyl-6-(1¢-methyl-4´-(1"-carboxymethylpyrene) benzyl)-1,4,8,11-tetraazacyclotetradecane). Our objective is to comprehensively understand the mechanism of NO release and identify the key factors influencing NO delivery. The optimized structure of the complexes at spin states S = 1/2 or 3/2 indicates a decrease in the Cr(III)-O bond length (1.669-1.671 Å) along with an increase in the Cr(III)O-NO bond length (2.735 - 2.741 Å), which facilitates the release of NO. Furthermore, there is a significant change in the bond angle (Cr-O-NO), from 120.4° to 116.9°, with respect to S=3/2, thus enlarging theO-NO bond and supporting the β-cleavage of NO from the complex. The calculated activation energy for the complexes reflects the energy difference between the low-spin doublet and high-spin quartet state due to spin crossover (SCO). Moreover, the Natural Transition Orbitals (NTOs) confirm the involvement of a hole-particle in the excitation. Additionally, TD-DFT reveals the pendant chromophore's role in generating NO, as the chromophore antenna effectively enhances light absorption.

Improving the Supraalar Groove Aesthetic Subunit and Lateral Crura Convex-Concave Deformity.

Lateral crura surface problems are one of the most difficult challenges in nose tip surgery. Closed Preservation Rhinoplasty (CPR) is a revolutionary concept keeping nose tip flexibility and elasticity. Solving lateral crura surface problems and keeping tip flexibility the surgeon will accomplish a sharper supraalar groove transition between the dorsum and the tip. The convex-concave lateral crura deformity (CCLCD) or S shape lateral crura is one of the biggest constraints to accomplish a beautiful tip and dorsum-tip transition (DTT). This deformity is the reason of commonly said parenthesis deformity of cephalic malposition. This LLC convexityconcavity shape creates a C shape shadow. This DTT is one of the key areas to accomplish natural results and it depends on different nose structures, not just the lower lateral cartilages (LLC). A total 560 rhinoplasty cases were studied retrospectively between September and December 2023. Three hundred and twenty patients had at least 1 year of follow-up. Patients had follow-up at 2 weeks, 1 month, 3 months, 6 months and 1 year after surgery. No secondary rhinoplasty was included. Just 2 secondary septoplasty cases were included without any nose skin undermining in the previous surgery. Surgical details were documented, including the 6 fundamental steps of this technique (1) mucosal lower lateral incision, (2) dorsum subperichondral dissection and vertical scroll release, (3) lateral crura tail caudal release, lateral crura steal and slide under flap lateralization, (4) upper laterals caudal resection, (5) vertical scroll reconstruction, and (6) turning point extension graft. Three hundred and twenty patients had at least 1 year of follow-up. 516 underwent a closed approach and 47 patients an open approach. All patients had subperichondral dissection of the hump envelope. All patients who underwent a closed approach had a low strip let down dorsal preservation technique. All patients who underwent an open approach had structural technique with spreader flaps or grafts at the keystone area. All the patients underwent their osteotomies with a piezoelectric device. Twenty-three revision surgeries were necessary. CPR taught us how important ligament and soft tissue preservation are. It taught the less damage you do to the nose soft tissues and scaffold the less support you need on it. Surgeons have been over grafting the lateral crura to solve postoperative problems mainly due to dissection problems and lack of lateral crura support. This paper shows how to solve lateral crura surface problems keeping the tip flexible and elastic creating also a nice and natural supraalar groove transition by applying 6 surgical manoeuvres.

Electronic Structures and Spectra of Donor-Acceptor Conjugated Oligomers.

Narrow band gap donor-acceptor conjugated polymers present excellent paradigms in photonics and optoelectronics due to their chemical tunability, correlated electronic structures, and tunable open-shell electronic configurations. However, rational design for enhancing the properties of these molecular systems remains challenging. In this study, we employed density functional theory (DFT) calculations to investigate prototypical narrow band gap donor-acceptor conjugated oligomers, consisting of alternating cyclopentadithiophene (CPDT) donors paired with benzothiadiazole (BT), benzoselenadiazole (BSe), benzobisthiadiazole (BBT), and thiadiazoloquinoxaline (TQ) acceptors. Analyses of structures, singlet-triplet gaps, and absorption spectra of oligomers with up to ten repeat units have shown that when incorporating the BT, BSe, and TQ acceptors, the backbone curvature resulted in spiral structures that were energetically favored over their linear counterparts, causing differences in the calculated circular dichroism spectra. Oligomers with BBT-based acceptors preferred, however, a linear geometry, consistent with an open-shell electronic structure. Calculated singlet-triplet splittings demonstrated the importance of long chains and specific structures for consistency with the experiment, while effects of the solvent were also quantified. Based on the predicted low-energy conformations, one-photon absorption spectra for the considered oligomers have shown that using the Tamm-Dancoff approximation within time-dependent DFT for the large systems offers good agreement with the first absorption maxima in measured experimental spectra, thus validating the method for large donor-acceptor oligomers. Natural transition orbital analyses provided insights into the excited-state characteristics. Two-photon absorption maxima were accurately predicted, but the cross-sections were overestimated or underestimated, as dependent on the level of theory employed, to be addressed in future work.

A Reformulation of the Laminar Kinetic Energy Model to Enable Multi-mode Transition Predictions

AbstractThe paper describes the development of a novel transition/turbulence model based on the laminar kinetic energy concept. The model is intended as a base framework for data-driven improvements. Starting from a previously developed framework, mainly aimed at separated-flow transition predictions, suitable terms for model generalization are identified and reformulated for handling different transition modes, namely bypass and separated-flow modes. The ideology for the definition of new terms has its roots in mixing phenomenological and correlation-based arguments, ensuring generality and flexibility and allowing a variety of lines of action for improving model components via machine-learning approaches. The model calibration, carried out with reference to flat plate test cases subjected to different pressure gradients and freestream turbulence levels, is discussed in detail. Although the constructed model is calibrated on a group of classic flat plat cases, the validation campaign, mostly carried out on gas turbine cascades, demonstrates its ability to predict transitional flows with engineering accuracy. Finally, while the model is not specifically developed for natural transition predictions, satisfactory predictions are obtained in scenarios with low freestream turbulence for flat plate and airfoil flows.

Eco-consciousness in Andrew Marvell’s The Garden

This paper explores ecological and environmental issues in Andrew Marvell’s poem, “The Garden.” The purpose of this paper is to subvert the anthropocentric world view by juxtaposing the Eco-centric world which provides ultimate pleasure to human beings. This paper employs qualitative and interpretative method to analyze the poem. The researcher has examined the poem from the perspective of Eco-criticism. Distancing himself from the anthropocentric world-view, Marvell highlights the Eco-centric world in order to valorize the beauty and serenity of nature. Marvell glorifies nature and natural beauty by using metaphysical conceits. The poem displays superiority of nature over trivial human culture. In addition, it shows eternity of nature by contrasting it with the transitory nature of human world. The garden is a place for refreshment and nourishment; it stands for innocence, solitude and recreation. Mistaken by the temptation of the material world, the poet seeks peace and pleasure in the human company. However; he finds such blissful states in the lap of nature. Marvell’s critique of anthropocentric and glorification of bio centrism opens an avenue for the critiques who are interested in integrating literary texts with the Environmental Studies. Thus; the present reading of the poem unveils the Eco-conscious elements of the poem from the lens of Eco-criticism.

Conditional Adversarial Motion Priors by a Novel Retargeting Method for Versatile Humanoid Robot Control

ABSTRACTSignificant advancements have been made in the field of humanoid robot, particularly in walking control strategies. However, achieving straight‐legged walking remains a challenge. Both the traditional model‐based and the learning‐based control methods confront with difficulties in achieving natural humanoid gait feature. To address this issue, a general motion retargeting method is developed and also evaluated for humanoid robots with different structure, size and degrees of freedom. Moreover, a conditional adversarial motion priors method is proposed based on reinforcement learning and validated on the humanoid robot GTX‐III. Through various motion segments from the motion capture database, it is shown that this method can successfully enable the humanoid robot to perform straight‐legged walking with flexible and natural transitions between different gaits within a single discriminator network.

Fluorenyl-corroles: Characterization, photophysical, photobiological, and DNA/BSA-binding properties of novel examples

In this study, it was evaluated the photophysical, electrochemical, photobiological, and DNA/BSA-binding properties of fluorenyl corrole derivatives H3MFluCor and H3TFluCor. Absorption and emission analyses were corroborated by theoretical calculations performed using time-dependent density functional theory, which revealed natural transition orbitals densities concentrated around the tetrapyrrolic macrocycle in all cases. The experimental studies indicated that the corroles H3MFluCor and H3TFluCor are stable in solution and exhibited photostability primarily in DMSO(5%)/Tris-HCl (pH 7.4) buffer. The generation of reactive oxygen species (ROS) and log POW values highlight their potential application in photobiological methods, as these corroles effectively generate ROS with more lipophilic characteristics. Furthermore, their binding capacity towards double-stranded DNA and bovine serum albumin (BSA) was also evaluated by spectroscopic techniques and molecular docking calculations. The interactive profile with biomolecules indicates that the corrole derivatives H3MFluCor and H3TFluCor tend to binding into the minor grooves of DNA through secondary forces, which are particularly pronounced at site III of the BSA, likely due to the static interactions.

Gendered Consumer Responsibilization: The Constitution of Menopausal Women as Responsible Feminine Consumer Subjects

Abstract Recent decades have witnessed menopause, an inevitable, natural bodily transition come under the purview of the market. Menopausal women are increasingly expected to be informed entrepreneurs of their bodies, bringing this transition within the domain of self-regulation and responsibility. Using data emanating from institutionalized market actors (ie, pharmaceutical and insurance companies, healthcare professionals) and the accounts of consumers, we investigate the construction of responsibility in the contested field of menopause. We show that the formation of the responsible feminine consumer subject is an adjustive process generated through contestations between different articulations of subjectivity. Specifically, we identify three subject formative subprocesses and show how gender is implicated in each. Instead of following a singular path, these subprocesses culminate in two distinct, yet coexisting routes to responsibilization, either by appealing to the qualities of traditional feminine subjectivity or by aligning with postfeminist subjectivity. We extend existing theorizations by revealing how gender shapes the processes of responsible subject formation and broadening the investigation of consumer responsibilization to a personal and embodied level.

EXPRESS: Impact of Dynamic Operations Complexity on Performance: the Role of National Culture

We build on the national culture, complex adaptive systems, and operations complexity literature to develop hypotheses about the moderating role of national culture on the negative relationship between dynamic operations culture and operational complexity. Monthly performance data were collected from 179 plants in a multinational corporation’s global plant network that spans all national culture clusters. We use random effects time series modeling to incorporate the transitory nature of this relationship and control unobserved heterogeneity over time. The results indicate that the relationship between dynamic operations complexity and operational performance is moderated by every dimension of national culture except gender egalitarianism and institutional collectivism. We contribute to the literature on complexity by introducing the dynamic operations complexity construct and showing the moderating effect of national culture. We contribute to the national culture literature by comprehensively examining the role of national culture supporting the national culture divergence thesis. Managerial implications relate to locating new plants in regions whose national culture is supportive of key goals and allocating tasks and products accordingly.

DFT insights into the nonlinear optical properties of azulene-stilbene dyads for photonics and optoelectronics

The present study aims to investigate the nonlinear optical characteristics of a series of azulene-stilbene chromophores through the utilization of density functional theory (DFT). Various acceptor substitution techniques were used to enhance first, second, and third order static and dynamic polarizabilities of the parent azulene-stilbene dyad (AS). The natural transition orbitals and UV-Visible absorption spectra were analyzed using time dependent-density functional theory (TD-DFT). Theoretical computations were performed to analyze the structural, electronic, and charge transfer properties of all designed compounds. The energy gap separating the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the designed moieties was observed to decrease in the new compounds compared to the parent compound. Analysis of the nonlinear optical (NLO) data among the designed compounds (AS1-AS10) revealed that AS2, AS3, AS4, and AS10 exhibit promising second and third order NLO characteristics, with AS6 exhibits suitability as a second order NLO material and AS8 and AS9 display third order NLO responses. The computed static and dynamic NLO parameters and maximum absorption wavelength closely match the experimentally reported data in the literature, suggesting these derivatives are excellent candidates for photonic and optoelectronic applications in the future.