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Talapunur Vikramaditya
ORCID
Publication Activity (10 Years)
Years Active: 2014-2019
Publications (10 Years): 3
Top Topics
Parameter Tuning
Fractional Brownian Motion
Hartree Fock
Long Range
Top Venues
J. Comput. Chem.
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Publications
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Talapunur Vikramaditya
,
Shiang-Tai Lin
Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange.
J. Comput. Chem.
40 (32) (2019)
Talapunur Vikramaditya
,
Jeng-Da Chai
,
Shiang-Tai Lin
Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps.
J. Comput. Chem.
39 (28) (2018)
Talapunur Vikramaditya
,
Shiang-Tai Lin
Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.
J. Comput. Chem.
38 (21) (2017)
Talapunur Vikramaditya
,
Kanakamma Sumithra
Effect of substitutionally boron-doped single-walled semiconducting zigzag carbon nanotubes on ammonia adsorption.
J. Comput. Chem.
35 (7) (2014)