• Login
    Search 
    •   NM-AIST Home
    • Materials, Energy, Water and Environmental Sciences
    • Search
    •   NM-AIST Home
    • Materials, Energy, Water and Environmental Sciences
    • Search
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Search

    Show Advanced FiltersHide Advanced Filters

    Filters

    Use filters to refine the search results.

    Now showing items 21-30 of 31

    • Sort Options:
    • Relevance
    • Title Asc
    • Title Desc
    • Issue Date Asc
    • Issue Date Desc
    • Results Per Page:
    • 5
    • 10
    • 20
    • 40
    • 60
    • 80
    • 100
    Thumbnail

    Complex Hydrides Li2MH5 (M = B, Al) for Hydrogen Storage Application: Theoretical Study of Structure, Vibrational Spectra and Thermodynamic Properties 

    Tsere, Melkizedeck Hiiti; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Science Publishing Group, 2015-12-18)
    Gaseous lithium complex hydrides Li2MH5 (M = B, Al) have been studied using DFT/B3P86 and MP2 methods with 6-311++G(d,p) basis set. High content of hydrogen by these materials accord them with good candidacy as a class of ...
    Thumbnail

    Investigation of optoelectronic properties of triphenylamine-based dyes featuring heterocyclic anchoring groups for DSSCs’ applications: a theoretical study 

    Deogratias, Geradius; Al-Qurashi, Ohoud S.; Wazzan, Nuha; Seriani, Nicola; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Springer Nature Switzerland AG., 2020-08-05)
    Design and synthesis of new potent sensitizers are of interest for realization of high-efficiency Dye Sensitized Solar Cells (DSSCs). Modification of the triphenylamine-based dyes by introducing suitable anchoring groups ...
    Thumbnail

    Structural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodide 

    Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M.; Kudin, Lev S. (Nature Switzerland AG., 2010-05-16)
    Nonempirical methods are used to calculate the geometric parameters, the frequencies of normal vibrations, and thermochemical characteristics of ions existing in saturated vapors over sodium bromide and iodide: Na2X+, NaX ...
    Thumbnail

    Structure and properties of molecular and ionic clusters in vapour over caesium fluoride 

    Mwanga, Stanley F.; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Taylor & Francis Online, 2015-02-11)
    The properties of neutral molecules Cs2F2, Cs3F3, and Cs4F4, and positive and negative cluster ions Cs2F+, CsF2−, Cs3F2+, Cs2F3−, Cs4F3+, and Cs5F4+ were studied by several of quantum chemical methods implementing density ...
    Thumbnail

    Theoretical study of properties of Cs2Cl+, CsCl2−, Cs3Cl2+, and Cs2Cl3− ions: Effect of Basis set and Computation Method 

    Hishamunda, Jean B.; Girabawe, Camille; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Rwanda Journal, 2012-07)
    Theoretical study of properties of Cs2Cl+, CsCl2−, Cs3Cl2+ and Cs2Cl3− ions has been performed using the density functional theory (DFT/B3LYP) and the second order Møller-Plesset perturbation theory (MP2). Two triple-zeta ...
    Thumbnail

    Oldoinyo Lengai Volcanic Ash for Removal of Hydrogen Sulfide and Ammonia from Biogas 

    Kandola, Isack; Pogrebnoi, Alexander M.; Pogrebnaya, Tatiana P. (Scientific Research an Academic Publisher, 2018-04-13)
    Oldoinyo Lengai mountain located in Northern Tanzania is the only active natrocarbonatite volcano with unusually alkali-rich natrocarbonatites which are not found elsewhere in the world. Volcanic ash formed earlier during ...
    Thumbnail

    Study of interaction of chitosan with Fluoride 

    Wagutu, Agatha W.; Pogrebnaya, Tatiana P.; Machunda, Revocatus (Biointerface Research in Applied Chemistry, 2018-06-15)
    Interaction of chitosan with fluoride (F- ) has been studied using experimental and computational methods. Chitosan was extracted from prawns shells and modified by cross-linking with glutaraldehyde and protonation using ...
    Thumbnail

    Semi-Transparent Building Integrated Photovoltaic Solar Glazing: Investigations of Electrical and Optical Performances for Window Applications in Tropical Region 

    Joseph, Benedicto; Kichonge, Baraka; Pogrebnaya, Tatiana P. (Hindawi, 2019-12-17)
    Integrating solar PV technology with semi-transparent windows permits multifunctional operation as electricity generation and allowing natural light to enter the building, hence overall energy efficiency improvement. The ...
    Thumbnail

    Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells application 

    Costa, Rene; Pogrebnoi, Alexander M.; Pogrebnaya, Tatiana P. (John Wiley & Sons, Inc., 2021-01-25)
    Along with attractiveness of natural dyes for solar technologies, the instability is a well‐known drawback of the dyes, which impedes their usage for dye sensitised solar cells (DSSCs) application. The planar isomer appeared ...
    Thumbnail

    Guanidinium tin halide perovskites: structural, electronic, and thermodynamic properties by quantum chemical study 

    Paschal, Catherine; Pogrebnoi, Alexander M.; Pogrebnaya, Tatiana P. (Springer Nature Switzerland AG., 2021-04-17)
    The orthorhombic phase of guanidinium tin halide perovskites C(NH2)3SnX3, X = Cl, Br, I has been studied by quantum chemical method. The lattice parameters are optimized to obtain the minimum energy using the density ...
    • 1
    • 2
    • 3
    • 4

    Nelson Mandela-AIST copyright © 2021  DuraSpace
    Theme by 
    Atmire NV
     

     

    Browse

    All PublicationsCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CommunityBy Issue DateAuthorsTitlesSubjects

    My Account

    LoginRegister

    Discover

    Author
    Pogrebnaya, Tatiana P. (31)
    Pogrebnoi, Alexander M. (22)Kudin, Lev S. (4)Mwanga, Stanley F. (3)Pogrebnaya, Alexander M. (3)Abubakari, Ismail (2)Costa, Rene (2)Emmanuel, Marwa (2)Girabawe, Camille (2)Hishamunda, Jean B. (2)... View MoreSubjectEnthalpy of formation (4)Geometrical structure (4)Geometrical Structure (3)NATURAL SCIENCES (3)Vibrational spectra (3)Cluster ions (2)Enthalpies of formation (2)formation enthalpy of ions (2)Glucosamine (2)Møller–Plesset Perturbation Theory (2)... View MoreDate Issued2020 - 2021 (7)2010 - 2019 (22)2007 - 2009 (2)Has File(s)Yes (31)

    Nelson Mandela-AIST copyright © 2021  DuraSpace
    Theme by 
    Atmire NV