On the analytical evaluation of the pressure for the extreme-pressure polarizable continuum model (XP-PCM), with application to atoms
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Elsevier
Reference50 articles.
1. Calculation and Analysis of the Harmonic Vibrational Frequencies in Molecules at Extreme Pressure: Methodology and Diborane as a Test Case;Cammi;J. Chem. Phys.,2012
2. Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test Case;Fukuda;J. Chem. Theor. Comp.,2015
3. A New Extension of the Polarizable Continuum Model: Toward a Quantum Chemical Description of Chemical Reactions at Extreme High Pressure;Cammi;J. Comput. Chem.,2015
4. The Quantum Chemical Study of Chemical Reactions at Extreme High Pressure by Means of the Extreme-Pressure Polarizable Continuum Model;Cammi;Annu. Rep. Comput. Chem.,2017
5. The Effect of Pressure on Organic Reactions in Fluids-A New Theoretical Perspective;Chen;Angew. Chem. Int. Ed.,2017
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models;Journal of Chemical Theory and Computation;2024-08-27
2. High‐Pressure Reaction Profiles and Activation Volumes of 1,3‐Cyclohexadiene Dimerizations Computed by the Extreme Pressure‐Polarizable Continuum Model (XP‐PCM);Chemistry – A European Journal;2022-04-08
3. Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms;Chemical Science;2022
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