Author

Noor Md Shahriar Khan

Graduate student, Auburn University - Cited by 220 - Theoretical Chemistry - Computational Chemistry - Physical Chemistry

Biography

Doctoral candidate pursuing the philosophy of quantum mechanics in the field of computational chemistry. Well versed in electronic structure theory and ab initio quantum mechanical calculation.
Title
Cited by
Year
Enantioselective syntheses of homopropargylic alcohols via asymmetric allenylboration
M Wang, S Khan, E Miliordos, M ChenOrganic letters 20 (13), 3810-3814, 2018201
47
2018
Enantioselective Allenylation of Aldehydes via Brønsted Acid Catalysis
M Wang, S Khan, E Miliordos, M ChenAdvanced Synthesis and Catalysis, 2018201
40
2018
Aufbau Rules for Solvated Electron Precursors: Be(NH3)40,± Complexes and Beyond
IR Ariyarathna, SN Khan, F Pawłowski, JV Ortiz, E MiliordosThe Journal of Physical Chemistry Letters 9 (1), 84-88, 2018201
37
2018
Ligand field effects on the ground and excited states of reactive FeO 2+ species
JK Kirkland, SN Khan, B Casale, E Miliordos, KD VogiatzisPhysical Chemistry Chemical Physics 20 (45), 28786-28795, 2018201
33
2018
Methane to Methanol Conversion Facilitated by Transition-Metal Methyl and Methoxy Units: The Cases of FeCH3+ and FeOCH3+
SN Khan, E MiliordosThe Journal of Physical Chemistry A 3 (26), 5590-5599, 2019201
12
2019
“Hypervalency” and the chemical bond
A Kalemos, IR Ariyarathna, SN Khan, E Miliordos, A MavridisComputational and Theoretical Chemistry 1153, 65-74, 2019201
12
2019
Scandium in Neutral and Positively Charged Ammonia Complexes: Balancing between Sc2+ and Sc3+
SN Khan, E MiliordosThe Journal of Physical Chemistry A 124 (22), 4400-4412, 2020202
11
2020
Metal-Free Activation of N2 by Persistent Carbene Pairs: An Ab Initio Investigation
SN Khan, A Kalemos, E MiliordosThe Journal of Physical Chemistry C 123 (35), 21548-21553, 20120
9
2019
The role of O (1 D) in the oxidation mechanism of ethylene by iodosobenzene and other hypervalent molecules
SN Khan, E MiliordosPhysical Chemistry Chemical Physics 19 (28), 18152-18155, 2017201
6
2017
Transition metal oxide complexes as molecular catalysts for selective methane to methanol transformation: any prospects or time to retire?
EE Claveau, S Sader, BA Jackson, SN Khan, E MiliordosPhysical Chemistry Chemical Physics 25 (7), 5313-5326, 2023202
4
2023
Can boron form coordination complexes with diffuse electrons? Evidence for linked solvated electron precursors
Z Jordan, SN Khan, BA Jackson, E MiliordosElectronic Structure (1), 015001, 2022202
4
2022
Electronic Structure of RhO2+, Its Ammoniated Complexes (NH3)1–5RhO2+, and Mechanistic Exploration of CH4 Activation by Them
Electronic Structure of RhO2+, Its Ammoniated Complexes (NH)1–5RhO2+, and Mechanistic Exploration of CH4 Activation by ThemSN Khan, E MiliordosInorganic Chemistry 60 (21), 16111-16119, 2021202
3
2021
Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties
SN Khan, BM Weight, BJ Gifford, S Tretiak, A BishopThe Journal of Physical Chemistry Letters 13 (5), 5801-5807, 0
2
2022