Thermodynamic and optical properties of HCOOH(H2O)n and HCOOH(NH3)(H2O)(n−1) clusters at various temperatures and pressures: a computational study-Reference-Cited by-同舟云学术

Thermodynamic and optical properties of HCOOH(H₂O)_n and HCOOH(NH₃)(H₂O)_(n−1) clusters at various temperatures and pressures: a computational study

Published:2023 Issue:11 Volume:25 Page:7869-7880
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Patla Arnab¹^ORCID,Subramanian Ranga¹^ORCID

Affiliation:

1. Department of Chemistry, Indian Institute of Technology Patna, 801103, India

Abstract

Density functional theory has been used to compute the gas-phase geometries, thermodynamical, and optical properties of and cluster with n = 1–8, 10, 12, 14, 16, 18, and 20.

Funder

Council of Scientific and Industrial Research, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03908G

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