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Sadisha Nanayakkara

Showing results (1-10 of 13) with videos related to

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Physical Chemistry Chemical Physics : PCCP|June 27, 2019
A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approachSadisha Nanayakkara, Elfi Kraka
Journal of Computational Chemistry|December 28, 2020
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"Sadisha Nanayakkara, Yunwen Tao, Elfi Kraka
Journal of Chemical Theory and Computation|December 20, 2021
Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy PictureSadisha Nanayakkara, Yunwen Tao, Elfi Kraka
Journal of Molecular Modeling|September 28, 2020
PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solidsYunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
The Journal of Physical Chemistry. A|October 16, 2020
Modeling Hydrogen Release from Water with Borane and Alane Catalysts: A Unified Reaction Valley ApproachSadisha Nanayakkara, Marek Freindorf, Yunwen Tao, et al.
Journal of Chemical Theory and Computation|February 22, 2022
LModeA-nano: A PyMOL Plugin for Calculating Bond Strength in Solids, Surfaces, and Molecules via Local Vibrational Mode AnalysisYunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
Theoretical Chemistry Accounts|March 15, 2021
A revised formulation of the generalized subsystem vibrational analysis (GSVA)Yunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
Molecules (Basel, Switzerland)|April 3, 2020
In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode TheoryYunwen Tao, Yue Qiu, Wenli Zou, et al.
Physical Chemistry Chemical Physics : PCCP|January 26, 2022
Structural study of 1- and 2-naphthol: new insights into the non-covalent H-H interaction in <i>cis</i>-1-naphtholArsh S Hazrah, Sadisha Nanayakkara, Nathan A Seifert, et al.
ACS Applied Materials & Interfaces|December 30, 2025
Electronic Properties of Organic Solar Cells Based on CF<sub>3</sub>-Functionalized Non-Fullerene Acceptors ⊥Fabian Bauch, Xiaojuan Ni, Saied Md Pratik, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|June 27, 2019
A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approachSadisha Nanayakkara, Elfi Kraka
Journal of Computational Chemistry|December 28, 2020
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"Sadisha Nanayakkara, Yunwen Tao, Elfi Kraka
Journal of Chemical Theory and Computation|December 20, 2021
Capturing Individual Hydrogen Bond Strengths in Ices via Periodic Local Vibrational Mode Theory: Beyond the Lattice Energy PictureSadisha Nanayakkara, Yunwen Tao, Elfi Kraka
Journal of Molecular Modeling|September 28, 2020
PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solidsYunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
The Journal of Physical Chemistry. A|October 16, 2020
Modeling Hydrogen Release from Water with Borane and Alane Catalysts: A Unified Reaction Valley ApproachSadisha Nanayakkara, Marek Freindorf, Yunwen Tao, et al.
Journal of Chemical Theory and Computation|February 22, 2022
LModeA-nano: A PyMOL Plugin for Calculating Bond Strength in Solids, Surfaces, and Molecules via Local Vibrational Mode AnalysisYunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
Theoretical Chemistry Accounts|March 15, 2021
A revised formulation of the generalized subsystem vibrational analysis (GSVA)Yunwen Tao, Wenli Zou, Sadisha Nanayakkara, et al.
Molecules (Basel, Switzerland)|April 3, 2020
In Situ Assessment of Intrinsic Strength of X-I⋯OA-Type Halogen Bonds in Molecular Crystals with Periodic Local Vibrational Mode TheoryYunwen Tao, Yue Qiu, Wenli Zou, et al.
Physical Chemistry Chemical Physics : PCCP|January 26, 2022
Structural study of 1- and 2-naphthol: new insights into the non-covalent H-H interaction in <i>cis</i>-1-naphtholArsh S Hazrah, Sadisha Nanayakkara, Nathan A Seifert, et al.
ACS Applied Materials & Interfaces|December 30, 2025
Electronic Properties of Organic Solar Cells Based on CF<sub>3</sub>-Functionalized Non-Fullerene Acceptors ⊥Fabian Bauch, Xiaojuan Ni, Saied Md Pratik, et al.
Pageof 2