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Employment (1)

University of Arizona: Tucson, Ariz., US

2021-09-06 to present | Postdoctoral scholar (Chemistry and Biochemistry)
Employment
Source: Self-asserted source
Sadisha Nanayakkara

Works (10)

Impact of organic–inorganic wavefunction delocalization on the electronic and optical properties of one-dimensional hybrid perovskites

Journal of Materials Chemistry C
2023 | Journal article
Contributors: Xiaojuan Ni; Sadisha Nanayakkara; Hong Li; Jean-Luc Brédas
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Crossref

Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy Picture

Journal of Chemical Theory and Computation
2022 | Journal article
EID:

2-s2.0-85121918070

Part of ISSN: 15499626 15499618
Contributors: Nanayakkara, S.; Tao, Y.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

LModeA-nano: A PyMOL Plugin for Calculating Bond Strength in Solids, Surfaces, and Molecules via Local Vibrational Mode Analysis

Journal of Chemical Theory and Computation
2022 | Journal article
EID:

2-s2.0-85125938646

Part of ISSN: 15499626 15499618
Contributors: Tao, Y.; Zou, W.; Nanayakkara, S.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

Structural study of 1- and 2-naphthol: new insights into the non-covalent H–H interaction in cis-1-naphthol

Physical Chemistry Chemical Physics
2022 | Journal article
Contributors: Arsh S. Hazrah; Sadisha Nanayakkara; Nathan A. Seifert; Elfi Kraka; Wolfgang Jäger
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Crossref
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A revised formulation of the generalized subsystem vibrational analysis (GSVA)

Theoretical Chemistry Accounts
2021 | Journal article
EID:

2-s2.0-85102388097

Part of ISSN: 14322234 1432881X
Contributors: Tao, Y.; Zou, W.; Nanayakkara, S.; Freindorf, M.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

Comment on “Exploring nature and predicting strength of hydrogen bonds: A correlation analysis between atoms-in-molecules descriptors, binding energies, and energy components of symmetry-adapted perturbation theory”

Journal of Computational Chemistry
2021 | Journal article
EID:

2-s2.0-85098054444

Part of ISSN: 1096987X 01928651
Contributors: Nanayakkara, S.; Tao, Y.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

Modeling hydrogen release from water with borane and alane catalysts: A unified reaction valley approach

Journal of Physical Chemistry A
2020 | Journal article
EID:

2-s2.0-85094932013

Part of ISSN: 15205215 10895639
Contributors: Nanayakkara, S.; Freindorf, M.; Tao, Y.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids

Journal of Molecular Modeling
2020 | Journal article
EID:

2-s2.0-85091528970

Part of ISSN: 09485023 16102940
Contributors: Tao, Y.; Zou, W.; Nanayakkara, S.; Kraka, E.
Source: Self-asserted source
Sadisha Nanayakkara via Scopus - Elsevier

In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode Theory

Molecules
2020-03-30 | Journal article
Contributors: Yunwen Tao; Yue Qiu; Wenli Zou; Sadisha Nanayakkara; Seth Yannacone; Elfi Kraka
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Crossref
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A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approach

Physical Chemistry Chemical Physics
2019 | Journal article
Contributors: Sadisha Nanayakkara; Elfi Kraka
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Crossref
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Peer review (1 review for 1 publication/grant)

Review activity for The journal of physical chemistry. (1)