Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics-Reference-Cited by-同舟云学术

Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics

Published:2020-07-07 Issue:1 Volume:153 Page:010901
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Koner Debasish¹^ORCID,Salehi Seyedeh Maryam¹^ORCID,Mondal Padmabati²^ORCID,Meuwly Markus³^ORCID

Affiliation:

1. Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel, Switzerland

2. Indian Institute of Science Education and Research (IISER) Tirupati, Karakambadi Road, Mangalam, Tirupati 517507, Andhra Pradesh, India

3. Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland and Department of Chemistry, Brown University, Providence, Rhode Island, USA

Funder

Swiss National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0009628

Reference177 articles.

1. Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation

2. Direct molecular simulation of internal energy relaxation and dissociation in oxygen

3. Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane andn‐Alkane Molecules

4. Refinement of protein conformations using a macromolecular energy minimization procedure

5. Derivation of Class II Force Fields. 2. Derivation and Characterization of a Class II Force Field, CFF93, for the Alkyl Functional Group and Alkane Molecules

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