Theory for electronic Raman activity of chlorophyll dimers

1983 ◽  
Vol 61 (1) ◽  
pp. 14-20 ◽  
Author(s):  
L. V. Haley ◽  
J. A. Koningstein
Keyword(s):  
Excited State ◽  
Molecular Orbital Calculation ◽  
Coupling Scheme ◽  
Interaction Terms ◽  
Singlet States ◽  
Orbital Function ◽  
Electronic Wave Function ◽  
The One ◽  
The Individual ◽  
State Wavefunctions

We present a modification of a supermolecule model of a general chlorophyll dimer, and calculate the excited state electronic Raman selection rules between the various singlet states. The model utilizes the electronic part of the total wavefunction within the strong intermolecular coupling scheme. Under this condition and the neglect of underlying orbitals, the electronic wave function of the dimer is reduced to a four orbital function with each monomer contributing one HOMO and one LUMO. Using a Hückel type molecular orbital calculation, the one electron orbital energies and coefficients of the ground and excited state wavefunctions of the dimer are obtained and are shown to depend explicitly on the ground and excited state intermolecular interaction terms. The resulting Raman activity calculation between the various excited state configurations yields two types of tensor elements: (1) contains only coordinates of the individual monomer α1 (molecule 1) and α2 (molecule 2) and are called spatially localized elements and (2) labelled spatially delocalized and contains coordinates of both monomer molecules simultaneously (α3 and α4).

THEORETICAL STUDIES ON THE ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES: PART III. SEMIEMPIRICAL SCF CALCULATIONS FOR POLYCYCLIC ALTERNANT HYDROCARBONS

1965 ◽  
Vol 43 (6) ◽  
pp. 1761-1769 ◽  
Author(s):  
J. E. Bloor ◽  
N. Brearley
Keyword(s):  
Regression Line ◽  
Field Method ◽  
Electron Interaction ◽  
Transition Energies ◽  
Interaction Terms ◽  
Self Consistent Field ◽  
Number Formula ◽  
Alternant Hydrocarbons ◽  
The One ◽  
The Individual

The effect of changing the method of calculating repulsion integrals within the framework of the semiempirical self-consistent field method is investigated with respect to the transition energies of the alternant hydrocarbons benzene, anthracene, phenanthrene, and pyrene. Of the methods investigated, the one originally suggested by Mataga gave the best agreement with experiment. By statistical analysis of the linear relationship between the internuclear distance rpq and the bond order ppq, the regression line[Formula: see text]was obtained.The success of the Hückel LCAO procedure in correlating observed p-band transition energies with the Hückel energy number[Formula: see text](NP = No. of atoms contributing π electrons) for the highest occupied MO was shown to be due to (1) the relative unimportance of configuration interaction for this transition, (2) the invariance of the electron interaction terms calculated by the SCF method for different hydrocarbons, and (3) the identity of the Hückel energy number [Formula: see text] with the corresponding term[Formula: see text]of SCF theory, the latter value being insensitive to the method of choosing repulsion integrals even though the individual AO coefficients [Formula: see text] were quite sensitive.

PENGARUH LATIHAN RANGE OF MOTION (ROM) AKTIF ASSITIF TERHADAP RENTANG GERAK SENDI PADA LANSIA YANG MENGALAMI IMMOBILISASI FISIK

2019 ◽  
Vol 13 (2) ◽  
Author(s):  
Andri Setyorini ◽  
Niken Setyaningrum
Keyword(s):  
Range Of Motion ◽  
Human Life ◽  
The Elderly ◽  
General Purpose ◽  
Test Statistic ◽  
Physical Mobility ◽  
Motion Exercise ◽  
The One ◽  
The Individual ◽  
Active Training

Background: Elderly is the final stage of the human life cycle, that is part of the inevitable life process and will be experienced by every individual. At this stage the individual undergoes many changes both physically and mentally, especially setbacks in various functions and abilities he once had. Preliminary study in Social House Tresna Wreda Yogyakarta Budhi Luhur Units there are 16 elderly who experience physical immobilization. In the social house has done various activities for the elderly are still active, but the elderly who experienced muscle weakness is not able to follow the exercise, so it needs to do ROM (Range Of Motion) exercise.   Objective: The general purpose of this research is to know the effect of Range Of Motion (ROM) Active Assitif training to increase the range of motion of joints in elderly who experience physical immobility at Social House of Tresna Werdha Yogyakarta unit Budhi Luhur.   Methode: This study was included in the type of pre-experiment, using the One Group Pretest Posttest design in which the range of motion of the joints before (pretest) and posttest (ROM) was performed  ROM. Subjects in this study were all elderly with impaired physical mobility in Social House Tresna Wreda Yogyakarta Unit Budhi Luhur a number of 14 elderly people. Data analysis in this research use paired sample t-test statistic  Result: The result of this research shows that there is influence of ROM (Range of Motion) Active training to increase of range of motion of joints in elderly who experience physical immobility at Social House Tresna Wredha Yogyakarta Unit Budhi Luhur.  Conclusion: There is influence of ROM (Range of Motion) Active training to increase of range of motion of joints in elderly who experience physical immobility at Social House Tresna Wredha Yogyakarta Unit Budhi Luhur.

PHILOSOPHICAL PROPAEDEUTICS IN THE SYSTEM OF PRESCHOOL EDUCATION

2020 ◽  
Vol 22 (11) ◽  
pp. 11-15
Author(s):  
Gan N.Yu. ◽  
Ponomareva L.I. ◽  
Obukhova K.A.
Keyword(s):  
Modern Science ◽  
Preschool Education ◽  
Modern Society ◽  
Social Relevance ◽  
The Social ◽  
Moral Problems ◽  
The Subject ◽  
The One ◽  
The Individual ◽  
And Training

Today, worldview, spiritual and moral problems that have always been reflected in education and upbringing come to the fore in society. In this situation, there is a demand for philosophical categories. One of the priority goals of education in modern conditions is the formation of a reasonable, reflexive person who is able to analyze their actions and the actions of other people. Modern science is characterized by an understanding of the absolute value and significance of childhood in the development of the individual, which implies the need for its multilateral study. In the conditions of democratization of all spheres of life, the child ceases to be a passive object of education and training, and becomes an active carrier of their own meanings of being and the subject of world creation. One of the realities of childhood is philosophizing, so it is extremely timely to address the identification of its place and role in the world of childhood. Children's philosophizing is extremely poorly studied, although the need for its analysis is becoming more obvious. Children's philosophizing is one of the forms of philosophical reflection, which has its own qualitative specificity, on the one hand, and commonality with all other forms of philosophizing, on the other. The social relevance of the proposed research lies in the fact that children's philosophizing can be considered as an intellectual indicator of a child's socialization, since the process of reflection involves the adoption and development of culture. Modern society, in contrast to the traditional one, is ready to "accept" a philosophizing child, which means that it is necessary to determine the main characteristics and conditions of children's philosophizing.

Whither the people in the ASEAN Community?

2020 ◽  
Vol 10 (3) ◽  
pp. 43-57
Author(s):  
See Seng Tan
Keyword(s):  
Southeast Asia ◽  
Political Ideology ◽  
Management Development ◽  
The Other ◽  
Asean Member ◽  
Derechos Humanos ◽  
The People ◽  
Droits Humains ◽  
The One ◽  
The Individual

Abstract: The longstanding effort to develop a people-based regionalism in Southeast Asia has been shaped by an inherent tension between the liberal inclination to privilege the individual and the community under formation, on the one hand, and the realist insistence on the primacy of the state, on the other. This article explores the conditions and constraints affecting ASEAN’s progress in remaking Southeast Asia into a people-focused and caring community in three areas: disaster management, development, and democratization (understood here as human rights). Arguably, the persistent gap in Southeast Asia between aspiration and expectation is determined less by political ideology than by the pragmatic responses of ASEAN member states to the forces of nationalism and protectionism, as well as their respective sense of local and regional responsibility.Resumen: El esfuerzo histórico para desarrollar un regionalismo basado en las personas del sudeste de Asia ha estado marcado por una tensión fundamental entre la inclinación liberal de privilegiar el individuo y la comunidad y la insistencia realista sobre la primacía del estado. Este artículo explora las condiciones y limitaciones que afectan el progreso de la ASEAN en la reestructuración de Asia sudoriental en una comunidad centrada en el cuidado de las personas en: gestión de desastres, desarrollo y democratización (i.e., derechos humanos). La brecha persistente en el sudeste asiático entre la aspiración y la expectativa está determinada por las respuestas pragmáticas de los miembros de la ASEAN sometidos a las fuerzas del nacionalismo y proteccionismo, así como su respectivo sentido de responsabilidad local y regional.Résumé: L’effort historique pour développer un régionalisme fondé sur les peuples en Asie du Sud-Est a été marqué par une tension fondamentale entre l’inclination libérale qui privilégie, d’une part, l’individu et la communauté et, d’autre part, l’insistance réaliste sur la primauté de l’État. Cet article explore les conditions et les contraintes qui nuisent aux progrès de l’ANASE dans le cadre d’une refonte de l’Asie du Sud-Est en une communauté centrée et attentive aux peuples dans trois domaines : la gestion des désastres, le développement et la démocratisation (en référence aux droits humains). Le fossé persistant en Asie du Sud-Est entre les aspirations et les attentes est vraisemblablement moins déterminé par l’idéologie politique que par les réponses pragmatiques des États membres de l’ANASE soumis aux forces du nationalisme et du protectionnisme ainsi que par leur sens respectif de la responsabilité locale et régionale.

Ummah’s Rights or Human Rights? Universalism, Individualism, and Islamic Ethics in the Twenty-first Century

2010 ◽  
Vol 27 (3) ◽  
pp. 1-23 ◽  
Author(s):  
Marie-Luisa Frick
Keyword(s):  
Human Rights ◽  
First Century ◽  
The Other ◽  
Moral Code ◽  
Bill Of Rights ◽  
Islamic Ethics ◽  
Specific Content ◽  
Societal Needs ◽  
The One ◽  
The Individual

Against the background of the trend of Islamizing human rights on the one hand, as well as increasing skepticism about the compatibility of Islam and human rights on the other, I intend to analyze the potential of Islamic ethics to meet the requirements for vitalizing the idea of human rights. I will argue that the compatibility of Islam and human rights cannot be determined merely on the basis of comparing the specific content of the Islamic moral code(s) with the rights stipulated in the International Bill of Rights, but by scanning (different conceptions of) Islamic ethics for the two indispensable formal prerequisites of any human rights conception: the principle of universalism (i.e., normative equality) and individualism (i.e., the individual enjoyment of rights). In contrast to many contemporary (political) attempts to reconcile Islam and human rights due to urgent (global) societal needs, this contribution is solely committed to philosophical reasoning. Its guiding questions are “What are the conditions for deriving both universalism and individualism from Islamic ethics?” and “What axiological axioms have to be faded out or reorganized hierarchically in return?”

Laughter on the Fringes

2019 ◽  
Author(s):  
Anna Peterson
Keyword(s):  
The Other ◽  
Literary Canon ◽  
Autobiographical Writing ◽  
Treasure Trove ◽  
Old Comedy ◽  
Other Hand ◽  
Aggressive Humor ◽  
The One ◽  
The Individual ◽  
The Impact

This book examines the impact that Athenian Old Comedy had on Greek writers of the Imperial era. It is generally acknowledged that Imperial-era Greeks responded to Athenian Old Comedy in one of two ways: either as a treasure trove of Atticisms, or as a genre defined by and repudiated for its aggressive humor. Worthy of further consideration, however, is how both approaches, and particularly the latter one that relegated Old Comedy to the fringes of the literary canon, led authors to engage with the ironic and self-reflexive humor of Aristophanes, Eupolis, and Cratinus. Authors ranging from serious moralizers (Plutarch and Aelius Aristides) to comic writers in their own right (Lucian, Alciphron), to other figures not often associated with Old Comedy (Libanius) adopted aspects of the genre to negotiate power struggles, facilitate literary and sophistic rivalries, and provide a model for autobiographical writing. To varying degrees, these writers wove recognizable features of the genre (e.g., the parabasis, its agonistic language, the stage biographies of the individual poets) into their writings. The image of Old Comedy that emerges from this time is that of a genre in transition. It was, on the one hand, with the exception of Aristophanes’s extant plays, on the verge of being almost completely lost; on the other hand, its reputation and several of its most characteristic elements were being renegotiated and reinvented.

scholarly journals Validity of the Gender Dysphoria diagnosis and incidence trends in Sweden: a nationwide register study

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Malin Indremo ◽  
Richard White ◽  
Thomas Frisell ◽  
Sven Cnattingius ◽  
Alkistis Skalkidou ◽  
...  
Keyword(s):  
Gender Dysphoria ◽  
Age Groups ◽  
Medical Intervention ◽  
Future Research ◽  
Advantages And Disadvantages ◽  
Incidence Trends ◽  
Interaction Terms ◽  
Definition Of ◽  
The Individual ◽  
Nationwide Register Study

AbstractThe aim of this study was to examine the validity of the Gender Dysphoria (GD) diagnoses in the Swedish National Patient Register (NPR), to discuss different register-based definitions of GD and to investigate incidence trends. We collected data on all individuals with registered GD diagnoses between 2001 and 2016 as well as data on the coverage in the NPR. We regarded gender confirming medical intervention (GCMI) as one proxy for a clinically valid diagnosis and calculated the positive predictive value (PPV) for receiving GCMI for increasing number of registered GD diagnoses. We assessed crude and coverage-adjusted time trends of GD during 2004–2015 with a Poisson regression, using assigned sex and age as interaction terms. The PPV for receiving GCMI was 68% for ≥ 1 and 79% for ≥ 4 GD-diagnoses. The incidence of GD was on average 35% higher with the definition of ≥ 1 compared to the definition of ≥ 4 diagnoses. The incidence of GD, defined as ≥ 4 diagnoses increased significantly during the study period and mostly in the age categories 10–17 and 18–30 years, even after adjusting for register coverage. We concluded that the validity of a single ICD code denoting clinical GD in the Swedish NPR can be questioned. For future research, we propose to carefully weight the advantages and disadvantages of different register-based definitions according to the individual study’s needs, the time periods involved and the age-groups under study.

Intra-individual variation in adults and children: measuring and conceptualizing individual dialect–standard repertoires

2021 ◽  
Vol 7 (s2) ◽  
Author(s):  
Irmtraud Kaiser ◽  
Andrea Ender
Keyword(s):  
Language Acquisition ◽  
Individual Variation ◽  
The Other ◽  
Standard Language ◽  
Methodological Choices ◽  
Standard Spectrum ◽  
Speech Data ◽  
Adults And Children ◽  
The One ◽  
The Individual

Abstract This paper explores intra-individual variation as a manifestation of language-internal multilingualism in the Central-Bavarian Austrian context. Based on speech data from children and adults in different contexts, we discuss different methods of measuring and analyzing inter-situational variation along the dialect and standard language spectrum. By contrasting measures of dialectality, on the one hand, and proportions of turns in dialect, standard language or intermediate/mixed forms on the other, we gain complementary insights not only into the individual dialect-standard repertoires but also into the consequences of different methodological choices. The results indicate that intra-individual variation is ubiquitous in adults and children and that individual repertoires need to be taken into account from the beginning of the language acquisition process. We suggest that while intra-individual variation can be attested through the use of various methods, the revealed level of granularity and the conclusions that can be drawn as to the individual repertoires on the dialect-standard spectrum largely depend on the measures used and their inherent assumptions and intrinsically necessary categorizations.

scholarly journals The Concept of Accuracy Analysis of the Vertical Displacements Gained from the Hydrostatic Levelling Systems’ Measurements

Sensors ◽  
2021 ◽  
Vol 21 (14) ◽  
pp. 4842
Author(s):  
Waldemar Kamiński
Keyword(s):  
Accuracy Assessment ◽  
Theoretical Models ◽  
Vertical Displacement ◽  
Serial Connection ◽  
Vertical Displacements ◽  
Comprehensive Determination ◽  
The One ◽  
The Individual ◽  
Reference Sensor

Nowadays, hydrostatic levelling is a widely used method for the vertical displacements’ determinations of objects such as bridges, viaducts, wharfs, tunnels, high buildings, historical buildings, special engineering objects (e.g., synchrotron), sports and entertainment halls. The measurements’ sensors implemented in the hydrostatic levelling systems (HLSs) consist of the reference sensor (RS) and sensors located on the controlled points (CPs). The reference sensor is the one that is placed at the point that (in theoretical assumptions) is not a subject to vertical displacements and the displacements of controlled points are determined according to its height. The hydrostatic levelling rule comes from the Bernoulli’s law. While using the Bernoulli’s principle in hydrostatic levelling, the following components have to be taken into account: atmospheric pressure, force of gravity, density of liquid used in sensors places at CPs. The parameters mentioned above are determined with some mean errors that influence on the accuracy assessment of vertical displacements. In the subject’s literature, there are some works describing the individual accuracy analyses of the components mentioned above. In this paper, the author proposes the concept of comprehensive determination of mean error of vertical displacement (of each CPs), calculated from the mean errors’ values of components dedicated for specific HLS. The formulas of covariances’ matrix were derived and they enable to make the accuracy assessment of the calculations’ results. The author also presented the subject of modelling of vertical displacements’ gained values. The dependences, enabling to conduct the statistic tests of received model’s parameters, were implemented. The conducted tests make it possible to verify the correctness of used theoretical models of the examined object treated as the rigid body. The practical analyses were conducted for two simulated variants of sensors’ connections in HLS. Variant no. I is the sensors’ serial connection. Variant no. II relies on the connection of each CPs with the reference sensor. The calculations’ results show that more detailed value estimations of the vertical displacements can be obtained using variant no. II.

Femtosecond Spectroscopic Studies of the One- and Two-Photon Excited-State Dynamics of 2,2,17,17-Tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne:  A Trimeric Oligodiacetylene

2006 ◽  
Vol 110 (40) ◽  
pp. 11435-11439 ◽  
Author(s):  
Grzegorz M. Balkowski ◽  
Michiel Groeneveld ◽  
Hong Zhang ◽  
Cindy C. J. Hendrikx ◽  
Michael Polhuis ◽  
...  
Keyword(s):  
Excited State ◽  
Spectroscopic Studies ◽  
Excited State Dynamics ◽  
Two Photon ◽  
The One
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