Spectroscopic analysis of diphosphatriazolate anion (P2N3−) by coupled-cluster methods as a step toward N5−
Author:
Funder
US AFOSR
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference38 articles.
1. Pn and Asn Ligands: A Novel Chapter in the Chemistry of Phosphorus and Arsenic
2. A Carbon-Free Sandwich Complex [(P 5 ) 2 Ti] 2−
3. Complexes with Substituent-free Acyclic and Cyclic Phosphorus, Arsenic, Antimony, and Bismuth Ligands
4. cyclo-P5 as Complex Ligand—the Phosphorus Analogue of the Cyclopentadienyl Ligand
5. Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster Anions Pn5- (Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and ab Initio Calculations
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1. How Coupled-Cluster Theory is Solving the Electron Correlation Problem;Comprehensive Computational Chemistry;2024
2. Unraveling the Photoelectron Spectrum of 1-Phospha-2,3,4-triazolate Anion, HCPN3–, A Theoretical Approach;The Journal of Physical Chemistry A;2022-12-23
3. Quantum Chemical View on the Growth Mechanisms of Odd-Sized Nitrogen Cluster Anions;The Journal of Physical Chemistry A;2018-12-07
4. Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies;Journal of Chemical Theory and Computation;2018-09-25
5. Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods;The Journal of Physical Chemistry A;2017-02-06
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