cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/kv97tgybx8.1
title: Xsorb: A software for identifying the most stable adsorption configuration and energy of a molecule on a crystal surface

description: Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to lubrication. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first-principles calculations. Several computational tools have been developed to study molecular adsorption based on high throughput/automatized approaches in recent years. However, these tools can sometimes be over-sophisticated for non-expert users. Here we present Xsorb, a Python-based program for identifying the accurate adsorption energy and geometry of complex molecules on crystalline (reconstructed) surfaces. The program automatically samples the potential energy surface (PES) that describes the molecule-surface interaction by generating several adsorption configurations through symmetry operations. The set of the most representative ones is automatically identified through a fast pre-optimization scheme. Finally, the PES global minimum is identified through a full structural optimization process. We show the program capabilities through an example consisting of a hydrocarbon molecule, 1-hexene, adsorbed over the (110) surface of iron and the reconstructed (001) surface of diamond. This program, despite its conceptual simplicity, is very effective in reducing the computational workload usually associated with the creation and optimization of several adsorption configurations.
DOI: 10.17632/mkxmkmjf3k.3
title: Dataset on social support and using social media for the health awareness and pandemic information in Indonesia

description: The COVID-19 pandemic has outstretched the multiple challenges in Indonesia as well as in the global world. Due to the rapid transformation of coronavirus, the multiple phases of smart, partial or full lockdown, high death toll, and people around the globe have faced a lack of health information. Author(s) have also analysed that usage of social media for utilizing health education is reported during the current pandemic. The survey data reflects the coronavirus awareness, information, seeking social support and sharing material for the prevention of viruses in Indonesia. It is to note that, at the time of collection of data, the Government of Indonesia imposed the full lockdown in the country and people faced an untoward situation. However, due to lock-down and strict physical regulations was restricted researchers move into the field for gathering the data. Thus, an online Google survey was designed for the facility and to gather data from the general public using social media platforms. A total of 384 responses were compiled and 36 were removed from the data, as missing responses. The data were categorised and analyzed in SPSS in a short period of time. This data may be beneficial to researchers, the national COVID-19 emergency response centre, public health practitioners, who would like to examine the other demission of social media for social support in an ongoing pandemic. 

Methods:

The data was gathered from using the goggle form and prepared an online public survey in Indonesia. Prior to data collection, a pre-testing was ensured to analyse the survey accuracy and variable in accordance with objectives and error-free to participate. Around 384 respondent had completed their responses in March and April, 2020 (two months) and among these 36 responses were declared as missing data, however, 348 responses were considered for the data and analysis. The survey link was limited to only Indonesian citizens or residing in Indonesian society.  The data items consist of sex, age, marital status, area of living, formal education considered as socio-demographic variables. There were multiple ways to disseminate the online survey link and shared it through Facebook positing, Whatsapp, and emails. The students from the faculty of social and political sciences had played an important role in the speedy collection of the data. For analysis of the data, four major themes were presented in this survey, are demographic status, the importance of social media for health education, seeking social support, and social media beneficial in pandemics or well-being, family connection and interaction through online ways, and preventive information to control the spread and prevalence of fear among the public in Indonesia. In last, a coding frame was also categorised for the conversion of data into digitised form, and then it was exported to SPSS for the analysis.
DOI: 10.17632/mkxmkmjf3k.1
title: Dataset on social support and using social media for the health awareness and pandemic information in Indonesia

description: The COVID-19 pandemic has outstretched the multiple challenges in Indonesia as well as in the global world. Due to the rapid transformation of coronavirus, the multiple phases of smart, partial or full lockdown, high death toll, and people around the globe have faced a lack of health information. Author(s) have also analysed that usage of social media for utilizing health education is reported during the current pandemic. The survey data reflects the coronavirus awareness, information, seeking social support and sharing material for the prevention of viruses in Indonesia. It is to note that, at the time of collection of data, the Government of Indonesia imposed the full lockdown in the country and people faced an untoward situation. However, due to lock-down and strict physical regulations was restricted researchers move into the field for gathering the data. Thus, an online Google survey was designed for the facility and to gather data from the general public using social media platforms. A total of 384 responses were compiled and 36 were removed from the data, as missing responses. The data were categorised and analyzed in SPSS in a short period of time. This data may be beneficial to researchers, the national COVID-19 emergency response centre, public health practitioners, who would like to examine the other demission of social media for social support in an ongoing pandemic. Methods: The data was gathered from using the goggle form and prepared an online public survey in Indonesia. Prior to data collection, a pre-testing was ensured to analyse the survey accuracy and variable in accordance with objectives and error-free to participate. Around 384 respondent had completed their responses in March and April, 2020 (two months) and among these 36 responses were declared as missing data, however, 348 responses were considered for the data and analysis. The survey link was limited to only Indonesian citizens or residing in Indonesian society. The data items consist of sex, age, marital status, area of living, formal education considered as socio-demographic variables. There were multiple ways to disseminate the online survey link and shared it through Facebook positing, Whatsapp, and emails. The students from the faculty of social and political sciences had played an important role in the speedy collection of the data. For analysis of the data, four major themes were presented in this survey, are demographic status, the importance of social media for health education, seeking social support, and social media beneficial in pandemics or well-being, family connection and interaction through online ways, and preventive information to control the spread and prevalence of fear among the public in Indonesia. In last, a coding frame was also categorised for the conversion of data into digitised form, and then it was exported to SPSS for the analysis.
DOI: 10.17632/mkxmkmjf3k.2
title: Dataset on social support and using social media for the health awareness and pandemic information in Indonesia

description: The COVID-19 pandemic has outstretched the multiple challenges in Indonesia as well as in the global world. Due to the rapid transformation of coronavirus, the multiple phases of smart, partial or full lockdown, high death toll, and people around the globe have faced a lack of health information. Author(s) have also analysed that usage of social media for utilizing health education is reported during the current pandemic. The survey data reflects the coronavirus awareness, information, seeking social support and sharing material for the prevention of viruses in Indonesia. It is to note that, at the time of collection of data, the Government of Indonesia imposed the full lockdown in the country and people faced an untoward situation. However, due to lock-down and strict physical regulations was restricted researchers move into the field for gathering the data. Thus, an online Google survey was designed for the facility and to gather data from the general public using social media platforms. A total of 384 responses were compiled and 36 were removed from the data, as missing responses. The data were categorised and analyzed in SPSS in a short period of time. This data may be beneficial to researchers, the national COVID-19 emergency response centre, public health practitioners, who would like to examine the other demission of social media for social support in an ongoing pandemic. 

Methods:

The data was gathered from using the goggle form and prepared an online public survey in Indonesia. Prior to data collection, a pre-testing was ensured to analyse the survey accuracy and variable in accordance with objectives and error-free to participate. Around 384 respondent had completed their responses in March and April, 2020 (two months) and among these 36 responses were declared as missing data, however, 348 responses were considered for the data and analysis. The survey link was limited to only Indonesian citizens or residing in Indonesian society.  The data items consist of sex, age, marital status, area of living, formal education considered as socio-demographic variables. There were multiple ways to disseminate the online survey link and shared it through Facebook positing, Whatsapp, and emails. The students from the faculty of social and political sciences had played an important role in the speedy collection of the data. For analysis of the data, four major themes were presented in this survey, are demographic status, the importance of social media for health education, seeking social support, and social media beneficial in pandemics or well-being, family connection and interaction through online ways, and preventive information to control the spread and prevalence of fear among the public in Indonesia. In last, a coding frame was also categorised for the conversion of data into digitised form, and then it was exported to SPSS for the analysis.
DOI: 10.17632/mkxmkmjf3k.4
title: Dataset on social support and using social media for the health awareness and pandemic information in Indonesia

description: Data
DOI: 10.17632/55t3rw38d6.1
title: Spatial Ecological Gradients and Non-Equilibrium Niche Construction Dynamics in the Levantine Middle-Upper Palaeolithic Transition

description: Supplementary data and code for research article manuscript submitted to Journal of Archaeological Science: Reports on the ecological factors shaping recurrent niche construction and biocultural adaptation in the Middle-Upper Palaeolithic of the Levant.
DOI: 10.17632/ph6pwst9mn.1
title: MolTwister – a molecular systems construction, manipulation and statistical mechanical calculation tool

description: To perform molecular dynamics (MD) simulations, Monte Carlo (MC) simulations, quantum mechanical (QM) electronic structure calculations, or similar atomistic calculations, it is necessary to first construct and define the molecular system of interest. This involves creating an initial configuration of atoms, where MD and MC simulations require forcefield assignments, for example in the form of non-bonded, bonded, angular and dihedral potentials. Once simulations or calculations have been performed, large sets of data are available (often several gigabytes). These contain atomic trajectories and other relevant static or dynamic information, from which static and dynamic properties (such as density profiles, vibrational density of states and velocity autocorrelation functions) can be obtained through statistical mechanical calculations. MolTwister is an open source software platform that addresses the construction of molecular systems, basic 3D visualization of these, the generation of input files for selected MD packages, as well as calculation of properties from atomistic simulation data. It also contains a GPU accelerated MD simulator suited for smaller tasks such as molecular thermalization. The software package is written in C++14 and can be used as a basis for further development, where efforts have been made to make access to underlying functionality easy. Moreover, it supports Python, where scripts have access to the majority of program functionality.
DOI: 10.17632/c9mpydgdjf.1
title: SERVANT LEADERSHIP AND ORGANIZATIONAL PERFORMANCE SYSTEMATIC LITERATURE REVIEW STUDY

description: Research on servant leadership is interesting to study because it involves virtue, ethics, morals, and ideal leadership. The results of the discussion of scientists gave birth to the type of leadership in organizational theory that developed. Scholars debate the theory of servant leadership in an organizational context. The main concern is considered suitable, worthy, and valuable for organizational success because the characteristics of servant leadership focus on listening, empathy, healing, awareness, persuasion, conceptualization, foresight, openness, commitment to growth, and
building community, which are prerequisites for organizational progress and success. The purpose of this study is to identify servant leadership theory based on empirical studies, involving population and sample sizes, the results of which show its influence on organizational goals. The analysis method uses a Systematic Literature Review (SLR) to assess how it works, its implementation, and its influence on organizational dynamics and performance. The process of skinning from the population to the end of 35 studies in empirical studies revealed servant leadership theory: generally accepted in the organizational context; able to improve organizational performance; not suitable to be
practiced in certain fields; and can contribute to organizational goals and shared success. This study contributes to the methodology of the SLR approach to organization and leadership, highlighting and mapping the influence and workings of servant leadership by looking at new research topics.
DOI: 10.17632/538m3cs89h.1
title: Effect of Knowledge Management Capabilities and Entrepreneurial Orientation Towards Competitive Advantage: A Study on Small Businesses in Banten Province, Indonesia 

description: This study analyses the influence of knowledge management capabilities (KMCs) and entrepreneur orientation on competitive advantages in small businesses managed by women entrepreneurs in Banten Province, Indonesia. This research method uses the explanatory survey method with a quantitative approach. The data were collected by surveying the businesses using instruments in the form of questionnaires.  Data were analyzed by using
partial least squares structural equation modeling. Results are as follows. Firstly, KMCs partially have a positive and significant effect on entrepreneurial orientation. Secondly, KMCs partially have a positive but nonsignificant effect on competitive advantage. Thirdly, entrepreneurial orientation has a partially positive but nonsignificant influence on competitive advantage. Fourthly, KMCs and entrepreneurial orientation have a positive and significant
effect on competitive advantage. The study presents three conclusions. Firstly, knowledge of new products is a knowledge resource that women-run small businesses use to respond quickly to the market. Secondly, knowledge resources related to information opportunities in the market are not quickly acquired by organizations; hence, such knowledge resources cannot be translated to competitive advantage. Thirdly, technological developments affect the
movement of change tendencies that encourage business actors to be adaptive and creative in creating products that meet the needs of society. Such competitive actions become competitive advantages.
DOI: 10.17632/9rzspt6t6f.1
title: Competitive Advantage Leverage Determinants Study on Small Enterprises Managed by Women in Banten Province, Indonesia 

description: The era of digital technology supported by the infrastructure of the industrial revolution 4.0 facing health issues during the Covid-19 pandemic requires small businesses to build a competitive advantage.  The purpose of this study examines the relationship between knowledge management capabilities, entrepreneurial orientation, organizational
agility, competitive action, and competitive advantage. In the Indonesian province of Banten, female business owners conducted this study on small enterprises. a quantitative approach to the explanatory survey method. The information was gathered via questionnaires as part of a survey on small enterprises run by women who are members of
the Indonesian Muslim Women's Association (IPEMI) and the Indonesian Women Entrepreneurs Association (IWAPI). The data were analyzed descriptively-inferentially by structural equation modeling-partial least squares (SEM-PLS) analysis. The results showed that competitive advantage was determined by knowledge management capabilities,
entrepreneurial orientation, organizational agility, and simultaneous competitive action, although knowledge management capabilities and entrepreneurial orientation were partially positive, but not significant. The contribution of this research is empirical proof for academics and practitioners, especially in decision-making in empowering women entrepreneurs in Banten province, and Indonesia in general. Recommendations for policymakers and makers
focus more on providing training and mentoring small businesses and other support so that small businesses have a competitive advantage with unique characteristics; and providing enlightenment in the field of entrepreneurship, both strategically in the process of capacity development and the process of entrepreneurial action typical of building a theory of the creation of resilient entrepreneurs.
DOI: 10.17632/8kmzfhvbwm.1
title: EXPLORING THE DRIVERS OF TOURISTS' REVISIT INTENTION: DOES   DIGITAL PAYMENT ADOPTION AND TOUR GUIDE PERFORMANCE MATTERS?

description: This study is conducted with the aim to understand the factors that encourage the revisit intention of visitors to a
tourist place. We consider several aspects such as tourist satisfaction, tour guide performance, destination attachment, and digital payments adoption in tourist destinations. This study uses quantitative methods through a survey of 294 tourists which is chosen by incidental sampling, who visited tourist destinations in West Java Province, Indonesia. The data obtained were processed
using the Structural Equation Model with the help of AMOS 7 software. This study indicate that tour guide performance, digital payments adoption, and destination attachments positively influence visitor satisfaction. We also proved that tour guide performance, destination attachment, and tourist satisfaction positively influence revisit intention. Tourist satisfaction mediates the relationship between tour guide performance, destination attachment, and revisit intention. This study justifies the factors that determine the high intention to visit tourist destinations in West Java Province, Indonesia. It sheds light on tourism literature by identifying factors that influence tourist satisfaction, namely tour guide performance, digital payments adoption, and destination attachments
DOI: 10.17632/78rpvt7k4n.1
title: The Employee Engagement On The  Organizational Change  Study On Manufacturing Industry  In Indonesia 

description: The human capital today has many challenges related to employee engagement and organizational change. The best technique to attract, keep, and motivate people is the most effective business strategy since it is more difficult for rivals to imitate than financial management, marketing management, operations management, or production management. In our essay, uncover the influences employee engagement to organizational change. It is believed that the organizational change will suffer if this symptom is not addressed. We gathered 429 perspectives of the top managers of Indonesian manufacturing enterprises and used structural equation modeling to examine them (SEM). Our research results show that employee engagement are the determinant on organizational change. Our research contribution is not only as empirical evidence of the topic under study but also as information for stakeholders and company management in inventorying alternatives to improve organizational change by studying determining factors. Our findings show that improving the organizational change of the manufacturing industry in Indonesia is determined by employee engagement variables.
DOI: 10.17632/by2xwwnxv9.1
title: Determinants of Organizational Capabilities and Its Impact on Corporate Performance in the Current Era of Big Data 

description: Heterogenous datasets, otherwise known as big data, has grown to include different
quantities and types of information, thus revolutionizing knowledge management in organizations and
old business models by allowing managers to know about their competitors, organization, and
customers. Human resources (HR) related challenges in managing them are techniques that tend to be
effective because companies must ultimately find unique ways to attract, retain, and motivate employees
that are more difficult for competitors to imitate. This study reveals how organizational capabilities of
companies are at risk of being affected by overlapping issues in big data management. 
This research was conducted using quantitative research methods. Data was collected from 678 middle
managers and was then analysed using structural equation modelling. Results show that requirements
such as Manufacturing Capability, Managerial Capability, Marketing Capability, Learning Capability,
Technology Capability, Inter-Organizational Communication, and Integrative Capability
simultaneously and partially affected corporate performance. The study ultimately provides empirical
proof of the studied topic and acts as information for stakeholders and company management in
inventorying alternatives to improving company performance by studying determinants of
organizational capacity
DOI: 10.17632/gytzwt4scw.1
title: NLR Nasopharynx Cancer

description: Data set for analysis of NLR in nasopharyngeal cancer treated with concurrent chemoradiotherapy followed by adjuvant carboplatin and 5-FU