Works (20)
Updated: April 4th, 2024 04:48
2023 journal article
Porphene and porphite as porphyrin analogs of graphene and graphite
Nature Communications, 14(1).
www.nature.com (publisher PDF)
Source: ORCID
Added: January 25, 2024
2022 journal article
A Class of Magnetic Topological Material Candidates with Hypervalent Bi Chains
Journal of the American Chemical Society, 144(22), 9785–9796.
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2022 journal article
Author Correction: Catalogue of flat-band stoichiometric materials
Nature, 607(7920), E20–E20.
Source: ORCID
Added: August 18, 2023
2022 journal article
Catalogue of flat-band stoichiometric materials
Nature, 603(7903), 824–828.
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2022 content posted
Porphene and Porphite: Porphyrin Analogs of Graphene and Graphite
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: August 24, 2023
2022 conference paper
Search for simple chemical rules predicting properties of kagome materials
ACS National Meeting. Presented at the ACS National Meeting, Chicago, IL.
Event: ACS National Meeting at Chicago, IL
Source: NC State University Libraries
Added: August 24, 2023
2022 journal article
Simple Chemical Rules for Predicting Band Structures of Kagome Materials
Journal of the American Chemical Society, 144(24), 10978–10991.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2021 journal article
Alkanes versus Oligosilanes: Conformational Effects on σ-Electron Delocalization
Journal of the American Chemical Society, 144(1), 463–477.
TL;DR:
The simple ladder C model provides an adequate intuitive description of the strong conformational dependence of σ-electron delocalization and is parametrized by fitting to results of density functional or Hartree-Fock theory.
(via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2021 journal article
Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe<sub>2
Chemistry of Materials, 33(20), 8070–8078.
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2021 journal article
TaCo <sub>2 Te <sub>2 : An Air‐Stable, High Mobility Van der Waals Material with Probable Magnetic Order
Advanced Functional Materials, 32(8), 2108920.
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2019 conference paper
Effect of Conformation on Electron Localization and Delocalization in Infinite Helical Chains [X(CH3)2] ∞ (X = Si, Ge, Sn, and Pb
Quantum Science Summer School. Poster presented at the Quantum Science Summer School.
Event: Quantum Science Summer School
Source: NC State University Libraries
Added: August 24, 2023
2019 journal article
Effect of Conformation on Electron Localization and Delocalization in Infinite Helical Chains [X(CH<sub>3</sub>)<sub>2</sub>]<sub>∞</sub> (X = Si, Ge, Sn, and Pb)
Journal of the American Chemical Society, 141(33), 13101–13113.
TL;DR:
An intuitive explanation of the effects of conformation (backbone dihedral angle) on electron delocalization in infinite saturated regular helices is offered in terms of the simple Ladder C model and confirmed by density functional theory calculations.
(via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2019 journal article
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model
Journal of the American Chemical Society, 141(44), 17729–17743.
TL;DR:
13 significant local maxima of SF rate for a pair of ethylenes are identified in the physically relevant part of space that avoids molecular interpenetration in the hard spheres approximation.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2018 journal article
Understanding the Effect of Conformation on Hole Delocalization in Poly(dimethylsilane)
Journal of the American Chemical Society, 140(36), 11158–11160.
TL;DR:
Density functional theory calculations confirm that the simple explanation of the origin of the striking conformational dependence of σ-electron localization/delocalization in polysilanes offered by the extremely simple Ladder C model is correct.
(via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2017 conference paper
Electron Delocalization in Infinite σ-Bonded One-dimensional Chains (MMe2)∞, M = Si, Ge, Sn, Pb
11th Triennial Congress of the World Association of Theoretical and Computational Chemist. Poster presented at the 11th Triennial Congress of the World Association of Theoretical and Computational Chemist.
Event: 11th Triennial Congress of the World Association of Theoretical and Computational Chemist
Source: NC State University Libraries
Added: August 24, 2023
2017 conference paper
Electron delocalization in Infinite σ-Bonded One-dimensional Chains (MMe2)∞, M=Si, Ge, Sn, Pb
The Minnesota Workshop on ab initio Modelling in Solid State Chemistry with CRYSTAL. Poster presented at the Minnesota Workshop on ab initio Modelling in Solid State Chemistry with CRYSTAL.
Event: Minnesota Workshop on ab initio Modelling in Solid State Chemistry with CRYSTAL
Source: NC State University Libraries
Added: August 24, 2023
2017 conference paper
Electron delocalization in σ-bonded one-dimensional chains
ACS National Meeting. Presented at the ACS National Meeting, Washington, DC.
Event: ACS National Meeting at Washington, DC
Source: NC State University Libraries
Added: August 24, 2023
2017 journal article
Intuitive Understanding of σ Delocalization in Loose and σ Localization in Tight Helical Conformations of an Oligosilane Chain
Chemistry – An Asian Journal, 12(11), 1250–1263.
TL;DR:
Conformational effects on the σ-electron delocalization in oligosilanes are addressed by Hartree-Fock and time-dependent density functional theory calculations and reveal a transition at ω≈90° from the "σ-delocalized" limit atω=180° toward and close to the physically non-realizable "ρ-localized" tight-helix limit ω=0 with entirely different properties.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
2014 journal article
Stabilizing non-covalent interactions of ligand aromatic moieties and proline in ligand–protein systems
Monatshefte Für Chemie - Chemical Monthly, 146(2), 389–397.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Crossref, NC State University Libraries
Added: August 18, 2023
report
Colossal negative magnetoresistance in the complex charge density wave regime of an antiferromagnetic Dirac semimetal
Singha, R., Dalgaard, K. J., Marchenko, D., Krivenkov, M., Rienks, E. D., Jovanovic, M., … Schoop, L. M. (ArXiv Preprint No. 2208.05466).
Source: NC State University Libraries
Added: August 24, 2023
Employment
Updated: August 17th, 2023 13:43
2023 - present
North Carolina State University Raleigh, NC, US
Assistant Profssor
Chemistry
Education
Updated: August 17th, 2023 13:46
2013 - 2019
University of Colorado Boulder Boulder, CO, US
Ph.D.
Chemistry
2009 - 2013
University of Belgrade Belgrade, RS
B.S.
Chemistry
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