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1.
J Relig Health ; 2024 Aug 20.
Artigo em Inglês | MEDLINE | ID: mdl-39162773

RESUMO

Religious struggles tend noticeably to influence the sphere of social well-being in emerging adulthood as individuals modify their religious beliefs and practices, form personal identity patterns, and rediscover new life purpose and values. The aim of the current study was to investigate whether meaning-making and meaning in life (presence and search) can serially mediate the hypothesized links between religious comfort vs. strain and social well-being. Self-report measures of religious struggles, meaning-making, meaning in life, and social well-being were completed by 368 emerging adults (aged 18 to 29, 52.2% female). The serial mediation analysis showed that the relationship between religious comfort vs. strain and social well-being was mediated by meaning-making and presence of meaning, but not by a search for meaning. These results suggest that religious struggles may represent unique aspects of developmental spiritual processes in emerging adulthood with implications for social well-being.

2.
Neurol Neurochir Pol ; 57(6): 484-491, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-38009502

RESUMO

INTRODUCTION: Happiness is crucial to patient well-being and their acceptance of their disease. The aim of this study was to assess the sense of happiness in persons with multiple sclerosis (PwMS), compare it to the level of happiness in patients with other neurological conditions, and determine which factors affect the sense of happiness in PwMS. MATERIAL AND METHODS: Five hundred and eighty-nine PwMS and 145 control subjects (post-stroke patients with chronic pain syndromes and neuropathies) were included in the study. Due to the differences between the groups in terms of demographic variables, an adjusted group of PwMS (n = 145) was selected from the entire group of PwMS. All patients were assessed using the Oxford Happiness Questionnaire (OHQ), the Satisfaction with Life Scale (SLS), and the Family APGAR Questionnaire. Based on regression analysis, the study examined which variables affected the level of happiness in the groups. RESULTS: Analysis of the OHQ scores showed that PwMS had a lower sense of happiness compared to the control group in the overall score [113.21 (25-42) vs. 119.88 (25-49), respectively; p = 0.031] and the subscales (OHQ subscale 1 - 54.52 vs. 57.84, respectively; p = 0.027; subscale 2 - 35.61 vs. 37.67; respectively; p = 0.044). Based on linear regression analysis, life satisfaction (ß = 0.40; p < 0.001), positive orientation (ß = 0.32; p < 0.001), and primary education (ß = 0.08; p = 0.009) were the most significant predictors of a higher level of happiness in PwMS. Similar results were found in the control group. CONCLUSIONS: The sense of happiness in PwMS was lower than in patients with other conditions. The most important factors influencing happiness included life satisfaction and positive orientation. Influencing these predictors should be the aim of psychological interventions, especially in patients with a reduced sense of happiness.


Assuntos
Felicidade , Esclerose Múltipla , Humanos , Polônia , Inquéritos e Questionários
3.
J Relig Health ; 62(5): 3579-3603, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37097410

RESUMO

Religious and spiritual (R/S) struggles are defined as the occurrence of tension, conflict, or strain that focus on matters of ultimate significance perceived by people as sacred. The widespread prevalence of R/S struggles and the growing demand for research in this area created the need for a brief tool. Recently, the 14-item form of the Religious and Spiritual Struggles Scale was developed and validated (Exline et al. in Psychology of Religion and Spirituality, 2022a). Given the significance of the empirical research on R/S struggles, we implemented the project of structure verification, internal consistency confirmation, reliability, and nomological validation of the Polish variant of the RSS-14 through three separate studies. With respect to the internal structure of the RSS-14, the CFA from three studies confirmed the good fit of the six-factor model, very similar to the one obtained in the original version of the tool. Moreover, both the total score and the subscales had high reliability and acceptable stability over the three studies. With respect to the nomological analyses, R/S struggles were related negatively to life satisfaction, presence of meaning in life, self-esteem, social desirability, religious centrality, and positively with search for meaning, God's disengagement, poorer health indicators, sleep problems, stress, and cognitive schemas (this category was the new element of our research). Polish 14-item version of the Religious and Spiritual Struggles Scale seems a valuable tool to assess religious strains.


Assuntos
Religião , Espiritualidade , Humanos , Psicometria , Polônia , Reprodutibilidade dos Testes , Inquéritos e Questionários
4.
Analyst ; 147(10): 2264-2271, 2022 May 17.
Artigo em Inglês | MEDLINE | ID: mdl-35510656

RESUMO

Kynurenic acid is a by-product of tryptophan metabolism in humans, with abnormal levels indicative of disease. There is a need for water-soluble receptors that selectively bind kynurenic acid, allowing for detection and quantification. We report here the high-affinity binding of kynurenic acid in aqueous media to a resorcinarene salt receptor decorated with four flexible naphthalene groups at the upper rim. Experimental results from 1H NMR, isothermal titration calorimetry, and electronic absorption and fluorescence spectroscopies all support high-affinity binding and selectivity for kynurenic acid over tryptophan. The measured binding constant (K = 1.46 ± 0.21 × 105 M-1) is one order of magnitude larger than that observed with other resorcinarene receptors. The present host-guest system can be employed for sensory recognition of kynurenic acid. Computational studies reveal the key role of a series of cooperative attractive intra- and inter-molecular interactions contributing to an optimal binding process in this system.


Assuntos
Calixarenos , Ácido Cinurênico , Calixarenos/química , Humanos , Naftalenos , Fenilalanina/análogos & derivados , Triptofano , Água/química
5.
J Relig Health ; 59(6): 2833-2856, 2020 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-32910280

RESUMO

The religious dimension of life represents an important source of human strength, meaning, and coping for many people. However, the religious life is not always "smooth and easy" and can be associated with weak personal adjustment, poorer psychological well-being, and lower satisfaction. Yet, besides the direct relationship between these variables, some researchers postulate the existence of an indirect association that has not been fully explained by various psychosocial mediators. The aim of the present study was to verify whether self-esteem could be a potential mediator between religious strain and life satisfaction. The sample consisted of 607 adult Christians (49.6% women) aged between 18 and 79. We used the Religious Comfort and Strain Scale, the Satisfaction with Life Scale, and the Rosenberg Self-Esteem Scale. Consistent with our hypotheses, life satisfaction positively correlated with religious comfort and was negatively associated with fear/guilt, negative emotions toward God, and negative social interactions surrounding religion. The same pattern of results was shown in the case of self-esteem. Moreover, the outcomes obtained from bootstrap sampling (5000) with a 95% confidence interval indicated a significant role of self-esteem as a mediator in all of the relationships between: (1) religious comfort and life satisfaction; (2) fear/guilt and life satisfaction; (3) negative emotions toward God and life satisfaction; and (4) negative social interactions surrounding religion and life satisfaction.


Assuntos
Cristianismo , Satisfação Pessoal , Religião e Psicologia , Autoimagem , Adaptação Psicológica , Adolescente , Adulto , Idoso , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Religião , Adulto Jovem
6.
J Chem Phys ; 147(8): 084106, 2017 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-28863509

RESUMO

We propose a physically motivated decomposition of density functional theory (DFT) 3-body nonadditive interaction energies into the exchange and density-deformation (polarization) components. The exchange component represents the effect of the Pauli exclusion in the wave function of the trimer and is found to be challenging for density functional approximations (DFAs). The remaining density-deformation nonadditivity is less dependent upon the DFAs. Numerical demonstration is carried out for rare gas atom trimers, Ar2-HX (X = F, Cl) complexes, and small hydrogen-bonded and van der Waals molecular systems. None of the tested semilocal, hybrid, and range-separated DFAs properly accounts for the nonadditive exchange in dispersion-bonded trimers. By contrast, for hydrogen-bonded systems, range-separated DFAs achieve a qualitative agreement to within 20% of the reference exchange energy. A reliable performance for all systems is obtained only when the monomers interact through the Hartree-Fock potential in the dispersion-free Pauli blockade scheme. Additionally, we identify the nonadditive second-order exchange-dispersion energy as an important but overlooked contribution in force-field-like dispersion corrections. Our results suggest that range-separated functionals do not include this component, although semilocal and global hybrid DFAs appear to imitate it in the short range.

7.
J Chem Phys ; 141(13): 134120, 2014 Oct 07.
Artigo em Inglês | MEDLINE | ID: mdl-25296797

RESUMO

The aim of this study is to present a performance test of optimally tuned long-range corrected (LRC) functionals applied to the symmetry-adapted perturbation theory (SAPT). In the present variant, the second-order energy components are evaluated at the coupled level of theory. We demonstrate that the generalized Kohn-Sham (GKS) description of monomers with optimally tuned LRC functionals may be essential for the quality of SAPT interaction energy components. This is connected to the minimization of a many-electron self-interaction error and exemplified by two model systems: polyacetylenes of increasing length and stretching of He 3 (+). Next we provide a comparison of SAPT approaches based on Kohn-Sham and GKS description of the monomers. We show that LRC leads to results better or comparable with the hitherto prevailing asymptotically corrected functionals. Finally, we discuss the advantages and possible limitations of SAPT based on LRC functionals.

8.
J Chem Phys ; 140(24): 244313, 2014 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-24985644

RESUMO

Donor-acceptor interactions are notoriously difficult and unpredictable for conventional density functional theory (DFT) methodologies. This work presents a reliable computational treatment of gold-ligand interactions of the donor-acceptor type within DFT. These interactions require a proper account of the ionization potential of the electron donor and electron affinity of the electron acceptor. This is accomplished in the Generalized Kohn Sham framework that allows one to relate these properties to the frontier orbitals in DFT via the tuning of range-separated functionals. A donor and an acceptor typically require different tuning schemes. This poses a problem when the binding energies are calculated using the supermolecular method. A two-parameter tuning for the monomer properties ensures that a common functional, optimal for both the donor and the acceptor, is found. A reliable DFT approach for these interactions also takes into account the dispersion contribution. The approach is validated using the water dimer and the (HAuPH3)2 aurophilic complex. Binding energies are computed for Au4 interacting with the following ligands: SCN(-), benzenethiol, benzenethiolate anion, pyridine, and trimethylphosphine. The results agree for the right reasons with coupled-cluster reference values.

9.
J Clin Med ; 13(7)2024 Mar 28.
Artigo em Inglês | MEDLINE | ID: mdl-38610737

RESUMO

Background: The research indicates that painful experiences can significantly affect the fear of cancer recurrence among cancer survivors, which is a distressing concern that influences both physiological and psychological recovery. This cross-sectional study aims to advance our comprehension of the associations between total pain and the fear of recurrence in post-treatment cancer patients by examining two potential mediators: psychological flexibility and mentalization. Methods: Three hundred and thirty-five participants (aged 22 to 88, 49.1% female) who had finished their cancer treatment completed self-report assessments of total pain, their fear of recurrence, psychological flexibility, and mentalization. Results: The serial mediation analysis showed that all dimensions of total pain were positively and indirectly related to the fear of recurrence through psychological flexibility and mentalization in serial. Additionally, gender was found to moderate these serial mediational effects. Conclusions: In line with the psychological flexibility model, personal capacities to face difficult internal/external problems and interpret one's behavior in motivational terms can counterbalance a patient's negative emotions and feelings related to the illness. Gender factors also determine the way in which post-treatment cancer patients manage potential future anxiety and fears.

10.
Sci Rep ; 14(1): 1859, 2024 01 22.
Artigo em Inglês | MEDLINE | ID: mdl-38253586

RESUMO

Job burnout is considered an outcome of prolonged exposure of employees to stress. Although many studies have focused on the presence of a direct association between stress and burnout, we still know very little about mediators that indirectly play a role in this relationship. Previous analyses have determined that self-efficacy acts as a mechanism that explains the overall relationship between stress and burnout. However, there is no such evidence to support the mediatory function of hope. Therefore, the main aim of the current study was to verify whether self-efficacy, hope pathways, and hope agency are mediators in this relationship. The study included 408 Polish-speaking adults who completed the Perceived Stress Scale, the Maslach Burnout Inventory, the Generalized Self-Efficacy Scale, and the Dispositional Hope Scale. The outcomes indicated a positive correlation of stress with the overall burnout score, as well as all subscales. Moreover, hope agency was a mediator, thus suggesting that there is also an indirect relationship between stress and job burnout. Therefore, it can be assumed that higher stress is associated with lower motivation to generate and sustain the actions needed to reach the goals. Consequently, lower hope agency may lead stressed employees to greater exhaustion and reduced personal accomplishment.


Assuntos
Esgotamento Profissional , Autorrelato , Adulto , Humanos , Polônia , Testes Psicológicos
11.
Sci Rep ; 14(1): 3408, 2024 02 10.
Artigo em Inglês | MEDLINE | ID: mdl-38341470

RESUMO

Although the role of aesthetics and aesthetic education in everyday life was discussed as early as the ancient philosophers, the psychological mechanisms shaping the aesthetic quotient have hardly been investigated by empirical studies. The aim of this study was to examine the direct relationship between experience and aesthetic competence, and the mediating role of need for cognition. The study involved 201 Polish adults, aged 18 to 76 (M = 26.40; SD = 11.89), 65% of whom were women. The respondents completed anonymous questionnaires on an online platform. The surveys included a metric, the Aesthetic Competence Scale (ACS), the Aesthetic Experience Questionnaire (AEQ) and the Need for Cognition Scale (NCS). A positive correlation coefficient was obtained between all three variables studied, with need for cognition acting as a mediator in the relationship between experience and aesthetic competence. The findings indicate that individuals reporting intense aesthetic experiences have a higher aesthetic competence if this relationship is mediated by a high need for cognitive effort.


Assuntos
Cognição , Adulto , Humanos , Feminino , Masculino , Estética , Inquéritos e Questionários , Escolaridade
12.
PLoS One ; 19(3): e0299326, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38498465

RESUMO

Human needs, and their fulfillment, are the building blocks of human development, personality, and well-being. However, no published paper in the field of psychology has focused on exploring aesthetic needs. Maslow (1986) gave the topic little more than a paragraph; and Dweck [1], in her elegant Unified Theory of Motivation, Personality, and Development, never mentions aesthetic needs. The aim of this article is to describe developing a scale for measuring the intensity of aesthetic needs. The structure, psychometric properties, and criterion-related validity of the scale were verified with three independent samples (total N = 592). The results of an EFA and two CFAs indicated a three-factor structure: 1) the need to aestheticize everyday life (aesthetic experiences of everyday objects and events unrelated to art, such as the presentation of food or the appearance of a workspace, etc.); 2) the need for contact with aesthetic creations (the arts); 3) the need to aestheticize the built and natural environments (urban spaces, architecture, parks, wild nature, etc.). In addition, our criterion-related convergent validity studies have shown that people with high aesthetic needs are characterized by experiencing more intense experiences in contact with works of art, have higher aesthetic competence in art, are more intensely involved in four forms of beauty, have a higher ability to integrate beauty, a stronger trait gratitude, curiosity about nature, greater sensitivity to disgust, and the need for internal and external stimulation. This scale may prove useful in research on individual differences and the psychology of aesthetics.


Assuntos
Beleza , Motivação , Humanos , Feminino , Estética , Comportamento Exploratório , Personalidade
13.
J Phys Chem A ; 117(45): 11580-6, 2013 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-24131315

RESUMO

Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered band gap materials. This promise is contingent upon the ability of DFT to predict one-particle states accurately. Unfortunately, approximate functionals fail to align the orbital energies with ionization potentials. We describe a new paradigm for achieving this alignment. In the proposed model, an average electron-exchange hole separation controls the onset of the orbital-dependent exchange in approximate range-separated functionals. The correct description of one-particle states is thus achieved without explicit electron removal or attachment. Extensive numerical tests show that the proposed method provides physically sound orbital gaps and leads to excellent predictions of charge-transfer excitations and other properties critically depending on the tail of the electron density.

14.
Psychol Res Behav Manag ; 16: 1647-1662, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37169003

RESUMO

Background: Ferrucci, a philosopher and psychotherapist, presented an original three-factor aesthetic intelligence concept in his book "Beauty and Soul" (2009). The subject of this article is the presentation of work on the construction of a scale for measuring one of the three dimensions of aesthetic intelligence, the ability to integrate beauty (AIB). This is probably the first attempt to empirically operationalize this concept. Methods: The three independent studies were carried out with a total of 604 participants. The aim of the first study was to develop the AIBS scale and to test its factor structure. During Study 2 and Study 3, we verified the AIBS structure through the confirmatory analysis and checked its convergent and discriminant validity. Results: The outcomes indicate that a one-factor, and seven-item tool is characterized by very good psychometric properties. Moreover, the results suggest that the AIB is indeed positively related to the perception of artworks (6 dimensions of an aesthetic experience), regulation of emotions through artistic creative activities, as well as to aesthetic competencies in art. The AIB is indeed positively related to the greater intensity of light triad traits (humanism, kantianism, faith in humanity) and to the development of the individual in five areas of spirituality. AIB is also only slightly related to the search for meaning and to one dimension of well-being, which is satisfaction and the sense of power.

15.
Artigo em Inglês | MEDLINE | ID: mdl-36834343

RESUMO

Research indicates that both cognitive appraisal and personal resources can noticeably influence health behaviors, as individuals modify their health convictions and practices on the basis of threat appraisal, personality, and meaning. The aim of the current study was to investigate whether coping strategies and meaning-making can serially mediate the relationship of threat appraisal and resilience with health behaviors in recovered COVID-19 patients. Self-report measures of threat appraisal, resilience, coping, meaning-making, and health behaviors were completed by 266 participants (aged 17 to 78, 51.5% female) who had recovered from COVID-19. The serial mediation analysis showed that the relationship of threat appraisal and resilience with health behaviors was mediated by problem-focused coping, meaning-focused coping, and meaning-making, but not by emotion-focused coping. These results suggest that associations among threat perception, resilience, and health behavior depend to some extent on the interplay of coping and meaning-making, which reveals their unique role in the process of recovery from COVID-19, with potential implications for health interventions.


Assuntos
COVID-19 , Humanos , Feminino , Masculino , Adaptação Psicológica , Emoções , Personalidade , Comportamentos Relacionados com a Saúde
16.
Front Psychol ; 14: 1214928, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37720630

RESUMO

Introduction: The purpose of the article is to present the results of works on the Polish version of the Aesthetic Experience Questionnaire (AEQ). The AEQ is a 22-item tool for assessing aesthetic experience in the following dimensions: emotional, cultural, perceptual, understanding, and two dimensions about flow (proximal conditions and flow experience). Methods: In the course of works on the Polish version of the AEQ, 3 independent studies with the participation of more than 800 people were carried out. In addition to the AEQ measurement, the tools included: the Emotion Regulation Strategies for Artistic Creative Activities Scale, the Brief Music in Mood Regulation, the Aesthetic Competence Scale, the Aesthetic Processing Preference Scale, the Need for Cognition Scale, the Center for Epidemiologic Studies - Depression Scale, the Material Values Scale and the Multidimensional Existential Meaning Scale. Results: The results obtained in the three studies through Confirmatory Factor Analysis indicated the compliance of the factor structure of the Polish version of the AEQ with the original and its good psychometric characteristics. It was also shown that the overall result and individual components of the aesthetic experience correlate positively with emotion regulation through artistic creative activities and mood regulation through music, aesthetic competences (music, literature, plastic arts, film), cognitive curiosity and some dimensions of aesthetic processing preferences. The studies also proved a very weak positive relationship between aesthetic experience and meaning of life. The assumption about a negative correlation between aesthetic experience and depression or materialism was not confirmed. Discussion: The Polish version of the AEQ is a credible psychometric measurement and encourages scientists to design research on the psychology of art and aesthetics in the Polish cultural conditions.

17.
Psychol Res Behav Manag ; 16: 4033-4041, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37795106

RESUMO

Background: The ability to integrate beauty (AIB) is the ability to inner transformation including thinking about oneself, perceived phenomena, or the world through exposure to an aesthetic object (or phenomenon). Previous research indicates that the AIB is positively related to aesthetic experience. Still, it is unclear whether spirituality can mediate the relationship between the two variables. Spirituality is understood as an experience of transcendence that relates to the unseen and is "larger than human". The aim of the study was to analyze the relationship between emotional and cognitive experiences related to the reception of art (as the most representative form of beauty) and the ability to connect with spirituality and aesthetic experiences. Methods: The online survey included a sample of N = 195 adults (74% female) between the ages of 18 and 54. The Spirituality Scale (SD-36), the Aesthetic Experience Questionnaire (AEQ) and the Ability to Integrate Beauty Scale (AIBS) were used to test hypotheses. Results: The analysis revealed a statistically significant, moderate relationship between the ability to integrate beauty and both the total aesthetic experience score and the spirituality scale score. The results support the hypothesis that there is a relationship between aesthetic experience in art and spirituality. The study also confirmed the mediating effect of spirituality on the relationship between aesthetic experience and aesthetic intelligence. Conclusion: Individuals with a higher level of spiritual development tend to have a greater ability to integrate beauty and have more intense aesthetic experiences, which in turn may increase their aesthetic intelligence. The results suggest that a deepened spirituality contributes to a greater ability to integrate beauty.

18.
Psychol Res Behav Manag ; 16: 211-222, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36718180

RESUMO

Background: Excessive social media consumption leads to addiction and affects mental health. It is a phenomenon that is difficult to avoid. Previous research on the effects of excessive Internet use shows that people who engage in social media (SM) without restraint experience over-involvement, over-disclosure, technostress, and social media fatigue (SMF). SMF, conceptualized as an emotional and cognitive feeling of being overwhelmed, manifests itself in mindless browsing of content, limiting the amount of time spent on SM, or quitting SM altogether. Self-control, although present in the technology addiction literature and psychology research, has been rarely described in relation to both excessive SM use and SMF. Therefore, the main goal of the present study was to verify whether there is a direct relationship between problematic smartphone use and SMF, and whether this association is mediated by self-control. Methods: The study included 210 respondents (M = 25.85, SD = 9.84) living in different Polish cities. The survey was conducted online, and the respondents consented to participate in the study. They completed the following measures: the Mobile Phone Problematic Use, the Self-Control Scale, the Social Media Fatigue Scale, and a brief questionnaire with socio-demographic data. Results: Statistical analysis was performed to verify the relationship between problematic mobile phone use, level of self-control, and SMF. The outcomes indicate that there are significant interrelationships between the three studied variables. The association between problematic smartphone use and SMF is mediated by self-control. Conclusion: A lack of impulse-inhibition skills, such as compulsive checking of notifications, can be a significant factor in SM exhaustion, fatigue, or frustration. SMF can also be understood as a natural defensive response, triggered in situations where individuals are overwhelmed, when the self-control is insufficient to stop the compulsion to use SM, and the use of a smartphone for this purpose is excessively engaging.

19.
Front Psychiatry ; 14: 1352021, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-38274416

RESUMO

Introduction: The complexity of the associations between religiosity and indicators of well-being suggests the presence of a mediating mechanism. Previous studies indicate that religion may influence subjective well-being because it helps to find meaning and purpose. Therefore, the aim of our study was to examine the mediating role of the presence and search dimensions of meaning in life in the relationship between religious meaning system and life satisfaction in patients with multiple sclerosis (MS). Methods: This cross-sectional study included 600 MS patients recruited from Poland who completed the Satisfaction with Life Scale (SWLS), the Religious Meaning System Questionnaire (RMS) and the Meaning in Life Questionnaire (MLQ). Model 6 of Hayes PROCESS was used to test the hypotheses. Results: The results of our research indicate that there was a significant indirect effect of religious meaning system on life satisfaction through the presence of meaning in life. The specific indirect effect of religious meaning system on life satisfaction through searching for meaning in life was not significant. Discussion: The results of our study are relevant because they show that religion as a meaning system is positively related to the presence of meaning in life, which in turn positively predicts life satisfaction. This is particularly important in the case of incurable illness, where finding meaning in life is one of the natural stages of adaptation. By incorporating these findings into mental health practice, professionals can enhance the holistic well-being of people coping with MS and contribute to a more comprehensive and effective approach to mental health care.

20.
J Chem Phys ; 136(20): 204109, 2012 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-22667542

RESUMO

Comprehensive tests within a diverse set of noncovalently bonded systems are carried out to assess the performance of the recently-developed dispersion-free approach in the framework of density functional theory [L. Rajchel, P. Zuchowski, M. Szczesniak, and G. Chalasinski, Phys. Rev. Lett. 104, 163001 (2010)]. A numerical algorithm which cures the convergence problems of the previous implementation is presented.

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