Pub Date : 2023-01-01DOI: 10.22232/stj.2023.11.01.07
Shanthy P., Vigneswari K
{"title":"Bio Synthesis of Gold Nanoparticles Using the Aqueous Leaf Extracts of Melia Dubia and its Anti-Oxidant Efficacy","authors":"Shanthy P., Vigneswari K","doi":"10.22232/stj.2023.11.01.07","DOIUrl":"https://doi.org/10.22232/stj.2023.11.01.07","url":null,"abstract":"","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"68 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135801395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.22232/stj.2023.11.01.12
M.Saroja Devi, Bidyabati Th.
{"title":"Some Curvature Properties of Kenmostsu Manifolds with Generalised Tanaka-Webster Connection","authors":"M.Saroja Devi, Bidyabati Th.","doi":"10.22232/stj.2023.11.01.12","DOIUrl":"https://doi.org/10.22232/stj.2023.11.01.12","url":null,"abstract":"","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"50 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135801380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-01-01DOI: 10.22232/stj.2023.11.01.01
Fedalia Bamon, Lal nundanga
{"title":"Folk Knowledge of Medicinal Plants Used to Combat COVID-19 by Residents of East Jaintia Hills, Meghalaya","authors":"Fedalia Bamon, Lal nundanga","doi":"10.22232/stj.2023.11.01.01","DOIUrl":"https://doi.org/10.22232/stj.2023.11.01.01","url":null,"abstract":"","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135801397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.12
Lalmuan Chhana, R. Tiwari, L. Zuala, Dibya Prakash Rai
The structural, electronic, and magnetic properties of CdS monolayer doped with non-metallic (NM) atoms B, C and N are studied based on ab initio density functional theory calculations within the generalized gradient approximation as revised for solids by Perdew, Burke and Ernzerhof (PBE-sol). The total magnetic moments per supercell of B, C and N-doped CdS monolayer is found to be ~1.0 µB, ~2.0 µB and ~1.0 µB respectively. As the electronegativity of the dopant increases, the local magnetic moment tends to localize and 2p-states of the dopants gradually move towards the valence band maximum of the host CdS. Our study also confirmed that the introduction of impurity atom by substitution of S atom results in half-metallic magnetism. Our investigation concludes that doping of NM element is an efficient way of altering the magnetic and electronic properties in CdS monolayer.
{"title":"Induced Magnetism in Non-metal Doped CdS Monolayer","authors":"Lalmuan Chhana, R. Tiwari, L. Zuala, Dibya Prakash Rai","doi":"10.22232/stj.2021.09.02.12","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.12","url":null,"abstract":"The structural, electronic, and magnetic properties of CdS monolayer doped with non-metallic (NM) atoms B, C and N are studied based on ab initio density functional theory calculations within the generalized gradient approximation as revised for solids by Perdew, Burke and Ernzerhof (PBE-sol). The total magnetic moments per supercell of B, C and N-doped CdS monolayer is found to be ~1.0 µB, ~2.0 µB and ~1.0 µB respectively. As the electronegativity of the dopant increases, the local magnetic moment tends to localize and 2p-states of the dopants gradually move towards the valence band maximum of the host CdS. Our study also confirmed that the introduction of impurity atom by substitution of S atom results in half-metallic magnetism. Our investigation concludes that doping of NM element is an efficient way of altering the magnetic and electronic properties in CdS monolayer.","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"108 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74864233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.06
Lalmalsawm dawngliani, Gospel Lallawmzuali, Samuel Lallianrawna, T. liana, K. Vanlaldinpuia, C. Lalhriatpuia
IMO compost was obtained using Indigenous Microorganisms (IMO) as inoculant through anaerobic fermentation process from kitchen waste biomass. The Physico-chemical analysis of the solid was obtained by taking pH, MC, OM, OC, N, K and P content. The biosorbent material was further characterized by SEM, IR and BET analytical techniques. Various physico-chemical parametric studies viz. effect of pH, initial dye concentration and background electrolyte concentrations are performed in the removal of Congo red (CR) dye using the IMO compost. The lower pH condition pH < 6.0 favoured the removal of Congo red and the percent removal was decreased with increase in the CR concentration. The removal of Congo red followed the pseudo-second order rate kinetics and the equilibrium state sorption data was reasonably fitted well to the Freundlich adsorption isotherm. In addition, the minimal effect of background electrolyte concentrations (0.0001 to 0.1 mol/L NaNO3) in the removal of CR inferred a specific sorption of Congo red forming ‘inner sphere’ complexes at the surface of the biosorbent.
{"title":"Potential Application of Indigenous Microorganism Derived Biosorbent in the Efficient Removal of Congo Red from Aqueous Solution","authors":"Lalmalsawm dawngliani, Gospel Lallawmzuali, Samuel Lallianrawna, T. liana, K. Vanlaldinpuia, C. Lalhriatpuia","doi":"10.22232/stj.2021.09.02.06","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.06","url":null,"abstract":"IMO compost was obtained using Indigenous Microorganisms (IMO) as inoculant through anaerobic fermentation process from kitchen waste biomass. The Physico-chemical analysis of the solid was obtained by taking pH, MC, OM, OC, N, K and P content. The biosorbent material was further characterized by SEM, IR and BET analytical techniques. Various physico-chemical parametric studies viz. effect of pH, initial dye concentration and background electrolyte concentrations are performed in the removal of Congo red (CR) dye using the IMO compost. The lower pH condition pH < 6.0 favoured the removal of Congo red and the percent removal was decreased with increase in the CR concentration. The removal of Congo red followed the pseudo-second order rate kinetics and the equilibrium state sorption data was reasonably fitted well to the Freundlich adsorption isotherm. In addition, the minimal effect of background electrolyte concentrations (0.0001 to 0.1 mol/L NaNO3) in the removal of CR inferred a specific sorption of Congo red forming ‘inner sphere’ complexes at the surface of the biosorbent.","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"44 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84591965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.10
M. C. F. Vanlalmuana, Lalmuan puia, K. Chakraborty, R. Lalfakzuala
Invasive alien plants tend to grow much faster than non-invasive plants. The colonization by AM fungi is confirmed by the presence of mycorrhizal structures in the roots of invasive plants. The pattern of hyphae and arbuscules denotes Arum and Paris type of AM fungal morphology. The most common and abundant invasive plants from Asteraceae family were selected for the study. Ageratum conyzoides, Mikania micrantha, Ageratum haustonianum and Bidens Pilosa were selected and eventually showed that they have a high percentage of mycorrhizal colonization. Arum type of morphology is found in three of the plant species and Paris type of morphology is found in one of the species. The extent of AM fungal colonization is fairly high ranging from 60% to 90% among the studied plants. The percentage of arbuscular colonization is highest in Bidens pilosa and the percentage of vesicle and hyphal colonization is highest in Ageratum conyzoides.
{"title":"Arbuscular Mycorrhizal Colonization Status in Selected Alien Invasive Plants of Asteraceae","authors":"M. C. F. Vanlalmuana, Lalmuan puia, K. Chakraborty, R. Lalfakzuala","doi":"10.22232/stj.2021.09.02.10","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.10","url":null,"abstract":"Invasive alien plants tend to grow much faster than non-invasive plants. The colonization by AM fungi is confirmed by the presence of mycorrhizal structures in the roots of invasive plants. The pattern of hyphae and arbuscules denotes Arum and Paris type of AM fungal morphology. The most common and abundant invasive plants from Asteraceae family were selected for the study. Ageratum conyzoides, Mikania micrantha, Ageratum haustonianum and Bidens Pilosa were selected and eventually showed that they have a high percentage of mycorrhizal colonization. Arum type of morphology is found in three of the plant species and Paris type of morphology is found in one of the species. The extent of AM fungal colonization is fairly high ranging from 60% to 90% among the studied plants. The percentage of arbuscular colonization is highest in Bidens pilosa and the percentage of vesicle and hyphal colonization is highest in Ageratum conyzoides.","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83934573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.07
Laishram Jenny Chanu, Arnab Paul
Lots of Web Services are available which differ in their QoS values but can perform a similar task. Discovery mechanism selects the best Web Service according to their QoS values and functional attributes. Cases arise, where the discovery mechanism fails, as a user’s complex query cannot be satisfied by a single Web Service. This can be solved by Web Service composition where multiple Web Services are combined to give a composite Web Service which meet user’s complex query. Our work is mainly focused on composition of Web Services that efficiently meets the user’s query. Different algorithms have been discussed and used by different researchers in this field. One of the most blooming topics is the use of evolutionary algorithms in optimization problems. In our work, we have chosen Particle Swarm Optimization Algorithm approach to discover the best efficient composition. Then, Weight Improved Particle Swarm Optimization Algorithm is used to improve the results which were found to be quite satisfying and efficient.
{"title":"QoS–Aware Web Service Composition using Weight Improved Particle Swarm Optimization","authors":"Laishram Jenny Chanu, Arnab Paul","doi":"10.22232/stj.2021.09.02.07","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.07","url":null,"abstract":"Lots of Web Services are available which differ in their QoS values but can perform a similar task. Discovery mechanism selects the best Web Service according to their QoS values and functional attributes. Cases arise, where the discovery mechanism fails, as a user’s complex query cannot be satisfied by a single Web Service. This can be solved by Web Service composition where multiple Web Services are combined to give a composite Web Service which meet user’s complex query. Our work is mainly focused on composition of Web Services that efficiently meets the user’s query. Different algorithms have been discussed and used by different researchers in this field. One of the most blooming topics is the use of evolutionary algorithms in optimization problems. In our work, we have chosen Particle Swarm Optimization Algorithm approach to discover the best efficient composition. Then, Weight Improved Particle Swarm Optimization Algorithm is used to improve the results which were found to be quite satisfying and efficient.","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"33 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89518656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.13
Zairem mawii, H. Lalhlimpuia, Lalhming Sangi, V. Vanthangliana, Laldin puia, Shivam Kumar
Slope failure in the form of rockfall is a common phenomenon that occur in the hilly ranges of Himalayas. Mizoram, being a part of it experiences a high rate of rockfall throughout the year especially during the monsoon season. This paper focus on frequent rock fall along the State highway between Aizawl to Lunglei via Thenzawl at Midumkham, Sumsuih village. Damage of passenger vehicles, public goods carrier trucks, private vehicles and road blocks are the common phenomenon due to various forms of landslide within the study area. The death of a couple on 14th October 2016 due to rockfall within the study area captivate attention of government as well as the local about the condition of the area. Thus, detailed study of the area becomes mandatory so as to reduce rockfall and to educate the government and locals about the actual condition of the area. Field reconnaissance has been carried out to collect joint data for kinematic analysis. The behaviour of rockfall was determined by kinematic analysis using Rocscience software Dips 6.0, the stereograph shows that toppling, planar and wedge type are the potential modes of failures. The rock beddings are classified based on RMR (Rock Mass Rating) and SMR (Slope Mass Rating). About 90% of the selected site shows that low RMR as well as SMR value. The RMR values of the rock exposed in the study area indicated a very poor quality of rock mass. The average stand up time obtained 30 min for 1m span suggest high rate of erosion of rocks in the area. The rock slopes represent Class V of Romana classification, considered as very bad rock mass and completely unstable. The low value of rebound number and strength of the rock along with presence of numerous joints determined the high vulnerability of the study area
{"title":"Rockfall Analysis of State Highway along the Southern Vicinity of Aizawl, Mizoram","authors":"Zairem mawii, H. Lalhlimpuia, Lalhming Sangi, V. Vanthangliana, Laldin puia, Shivam Kumar","doi":"10.22232/stj.2021.09.02.13","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.13","url":null,"abstract":"Slope failure in the form of rockfall is a common phenomenon that occur in the hilly ranges of Himalayas. Mizoram, being a part of it experiences a high rate of rockfall throughout the year especially during the monsoon season. This paper focus on frequent rock fall along the State highway between Aizawl to Lunglei via Thenzawl at Midumkham, Sumsuih village. Damage of passenger vehicles, public goods carrier trucks, private vehicles and road blocks are the common phenomenon due to various forms of landslide within the study area. The death of a couple on 14th October 2016 due to rockfall within the study area captivate attention of government as well as the local about the condition of the area. Thus, detailed study of the area becomes mandatory so as to reduce rockfall and to educate the government and locals about the actual condition of the area. Field reconnaissance has been carried out to collect joint data for kinematic analysis. The behaviour of rockfall was determined by kinematic analysis using Rocscience software Dips 6.0, the stereograph shows that toppling, planar and wedge type are the potential modes of failures. The rock beddings are classified based on RMR (Rock Mass Rating) and SMR (Slope Mass Rating). About 90% of the selected site shows that low RMR as well as SMR value. The RMR values of the rock exposed in the study area indicated a very poor quality of rock mass. The average stand up time obtained 30 min for 1m span suggest high rate of erosion of rocks in the area. The rock slopes represent Class V of Romana classification, considered as very bad rock mass and completely unstable. The low value of rebound number and strength of the rock along with presence of numerous joints determined the high vulnerability of the study area","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90284492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.09
Davy Lalruatliana, Lalnun Tluanga, S. T. Lalzarzovi
Particulate matter (PM), a primary component of air pollution has been implicated in various respiratory and cardiovascular diseases and was found to be the 13th leading cause of mortality worldwide by the World Health Organisation. The concentration of PM10 (Coarse particulate matters with aerodynamic diameter between 2.5–10 μm ) was assessed for Aizawl City, Mizoram for a period of two years from June 2014–May 2016. The annual mean concentration of PM10 was found to fall within the permissible limit of the National Ambient Air Quality Standard and was highest in Khatla station (71.67 µg/m3) followed by Bawngkawn station (39.75 µg/m3) and Laipuitlang station (33.25 µg/m3) and the lowest annual mean concentration was seen in Mizoram University station (0.85 µg/m3). Seasonal variations have been observed in the mean concentration of PM10 with the highest concentration in winter season (51.3µg/m3±28.27)and the lowest in monsoon season (22.58 µg/m3 ±2.37). Despite the low concentration of PM10, a strong association was found between PM10 exposure and three types of respiratory diseases namely Corrosion of respiratory tract (CORT), chronic obstructive pulmonary disease (COPD) and vasomotor rhinitis (VR).
{"title":"Monitoring of PM10 Concentration and Evaluation of its Effect on Respiratory Diseases in Aizawl City, Mizoram","authors":"Davy Lalruatliana, Lalnun Tluanga, S. T. Lalzarzovi","doi":"10.22232/stj.2021.09.02.09","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.09","url":null,"abstract":"Particulate matter (PM), a primary component of air pollution has been implicated in various respiratory and cardiovascular diseases and was found to be the 13th leading cause of mortality worldwide by the World Health Organisation. The concentration of PM10 (Coarse particulate matters with aerodynamic diameter between 2.5–10 μm ) was assessed for Aizawl City, Mizoram for a period of two years from June 2014–May 2016. The annual mean concentration of PM10 was found to fall within the permissible limit of the National Ambient Air Quality Standard and was highest in Khatla station (71.67 µg/m3) followed by Bawngkawn station (39.75 µg/m3) and Laipuitlang station (33.25 µg/m3) and the lowest annual mean concentration was seen in Mizoram University station (0.85 µg/m3). Seasonal variations have been observed in the mean concentration of PM10 with the highest concentration in winter season (51.3µg/m3±28.27)and the lowest in monsoon season (22.58 µg/m3 ±2.37). Despite the low concentration of PM10, a strong association was found between PM10 exposure and three types of respiratory diseases namely Corrosion of respiratory tract (CORT), chronic obstructive pulmonary disease (COPD) and vasomotor rhinitis (VR).","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84897786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-07-01DOI: 10.22232/stj.2021.09.02.01
P. Sumalatha, N. Muralikrishna, K. V. Padmavathi, M. Subbarao
In this present analysis, the measurement of optimized molecular structure and molecular hyperpolarizability (βtotal) of simple coumarin molecules were investigated using the HF method at 6-311G basis set level Gaussian09W. The measured nonlinear optical parameters (NLO); polarizability (α), the anisotropy of the polarizability (Δα), and first-order molecular hyperpolarizability (βtotal) of the studied coumarins indicate promising optical properties. The energy difference between HOMO and LUMO helped determine the molecular descriptors; global hardness (η), softness (σ) electronegativity (χ) Chemical potential (μ), and electrophilicity index (ω) in gas and different solvents. The molecular hyperpolarizability (βtotal) and descriptors that have been calculated in the solvent medium were taken into consideration through the Polarizable Continuum Model (PCM), This study shows the high static hyperpolarizability exhibited by HNR, FXT, and CNT and offers the potential the materials may have for NLO devices. The molecular descriptors, hardness, and chemical potential values are high for CNT and UCAcompared to other studied coumarins. This suggested that CNT and CA have the most significant chemical potential resistance to change the number of electrons among the other molecules.
{"title":"Non-Linear Optical Properties and Global Reactivity Descriptors by ab initio Hartree-Fock (H.F.) Calculations of Simple Coumarins","authors":"P. Sumalatha, N. Muralikrishna, K. V. Padmavathi, M. Subbarao","doi":"10.22232/stj.2021.09.02.01","DOIUrl":"https://doi.org/10.22232/stj.2021.09.02.01","url":null,"abstract":"In this present analysis, the measurement of optimized molecular structure and molecular hyperpolarizability (βtotal) of simple coumarin molecules were investigated using the HF method at 6-311G basis set level Gaussian09W. The measured nonlinear optical parameters (NLO); polarizability (α), the anisotropy of the polarizability (Δα), and first-order molecular hyperpolarizability (βtotal) of the studied coumarins indicate promising optical properties. The energy difference between HOMO and LUMO helped determine the molecular descriptors; global hardness (η), softness (σ) electronegativity (χ) Chemical potential (μ), and electrophilicity index (ω) in gas and different solvents. The molecular hyperpolarizability (βtotal) and descriptors that have been calculated in the solvent medium were taken into consideration through the Polarizable Continuum Model (PCM), This study shows the high static hyperpolarizability exhibited by HNR, FXT, and CNT and offers the potential the materials may have for NLO devices. The molecular descriptors, hardness, and chemical potential values are high for CNT and UCAcompared to other studied coumarins. This suggested that CNT and CA have the most significant chemical potential resistance to change the number of electrons among the other molecules.","PeriodicalId":22107,"journal":{"name":"Silpakorn University Science and Technology Journal","volume":"6 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76450003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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