Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics-Reference-Cited by-同舟云学术

Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics

Published:1997-07 Issue:8 Volume:53 Page:1347-1363
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Dasgupta Siddharth,Brameld Ken A.,Fan C.-F.,Goddard William A.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference39 articles.

1. NORMAL CO-ORDINATE ANALYSIS Program, G. Kidd, H. Fuhrer, V.B. Kartha, P.J. Krueger and H.H. Mantsch, Division of Chemistry, National Research Council of Canada, Sussex Drive, Ottawa, Canada.

2. [16] Single-crystal micro-Raman spectroscopy

3. DREIDING: a generic force field for molecular simulations

4. A new force field for molecular mechanical simulation of nucleic acids and proteins

Cited by 17 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. Time delay during intra-base proton tunneling in the guanine base of the single stranded DNA;Progress in Biophysics and Molecular Biology;2022-09

2. QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics;Journal of Chemical Information and Modeling;2019-02-11

3. Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms;Theoretical Chemistry Accounts;2018-05-16

4. Anchor Points Reactive Potential for Bond-Breaking Reactions;Journal of Chemical Theory and Computation;2014-02-04

5. Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data;Physical Chemistry Chemical Physics;2013