Search Results - "Chemistry--Computer simulation"

Computational Techniques for Analytical Chemistry and Bioanalysis

Authors: Philippe B Wilson Martin Grootveld

Resource Type: eBook.

Subjects: Analytical chemistry--Mathematical models, Analytical chemistry--Data processing, Analytical chemistry--Computer simulation

Categories: SCIENCE / Chemistry / Computational & Molecular Modeling, SCIENCE / Life Sciences / Biochemistry, SCIENCE / Chemistry / Analytic

Handbook of Computational Chemistry Research

Authors: Robson, Christopher D. Collett, Charles T.

Resource Type: eBook.

Subjects: Chemistry--Computer simulation, Chemistry--Data processing

Categories: SCIENCE / Chemistry / Clinical

Computational Chemistry: Reviews Of Current Trends

Authors: Ermanno Gianinetti Jozek S Kwiatkowski Jerzy Leszczynski et al.

Resource Type: eBook.

Subjects: Chemistry--Computer simulation, Chemistry--Data processing

Categories: SCIENCE / Chemistry / Physical & Theoretical, SCIENCE / Chemistry / General

Computational Chemistry: Reviews Of Current Trends

Authors: Kenneth Flurchick Leonid Gorb Sujata Guha et al.

Resource Type: eBook.

Subjects: Chemistry--Computer simulation, Chemistry--Data processing, Chemistry--Mathematics, Cheminformatics

Categories: SCIENCE / Chemistry / General, SCIENCE / Chemistry / Physical & Theoretical

ACHIEVING MOLECULAR MODELING PRECISION AND AUTONOMY WITH MACHINE LEARNING

Authors: Keng, Mithony

Committee Members: Merz, Kenneth Jr. KM; Hunt, Katharine KH; Wilson, Angela AW; Lee, Kin Sing KSL

URL: https://doi.org/doi:10.25335/bv5c-wq97

LANTHANIDE SINGLE-MOLECULE MAGNETS CONTAINING NITROGEN-BASED RADICAL AND BULKY AMIDE LIGANDS

Authors: Benner, Florian

Committee Members: Demir, Selvan; McCusker, James K.; McCracken, John L.; Blanchard, Gary J.

URL: https://doi.org/doi:10.25335/vc7k-j951

Using molecular dynamics simulations to understand receptor-complex communication and signaling

Authors: Hoag, Hannah Margaret

Committee Members: Wu, Chun; Caputo, Gregory; Keck, Thomas

URL: https://rdw.rowan.edu/etd/2874

Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions

Authors: Riojas, Amanda G.

Committee Members: Wilson, Angela K.; Borden, Weston T.; Cundari, Thomas R.; Marshall, Paul, 1960-

URL: https://digital.library.unt.edu/ark:/67531/metadc801886/

Systematic Approaches to Predictive Computational Chemistry using the Correlation Consistent Basis Sets

Authors: Prascher, Brian P.

Committee Members: Wilson, Angela K.; Borden, Weston T.; Cundari, Thomas R.; Schwartz, Martin; McPherson, Michael

URL: https://digital.library.unt.edu/ark:/67531/metadc9920/

Visualizing Chemical Concepts at the Particulate Level

Authors: Tang, Hui

Committee Members: Abraham, Michael R.

URL: https://hdl.handle.net/11244/319022

QM and QM/MD simulations of the Vinca alkaloids

Authors: Kelly, Evan Bradley Thomas

URL: https://era.library.ualberta.ca/items/616f15be-e217-4820-ba3a-af9604753bb7/view/17937678-57ef-4a59-b0af-6c71aadbf264/MR45830.pdf

Plasma etch reactor simulation for improved optimization and control

Authors: Singh, Vikram

Committee Members: Riggs, James B.; Parten, Michael E.; Tock, Richard W.; Narayan, Raghu Subramani; Rhinehart, R. Russell

URL: http://hdl.handle.net/2346/60962

Determination of stop etch time of a plasma etch reactor

Authors: Cao, Songling

Committee Members: Parten, Michael E.; Rhinehart, R. Russell

URL: http://hdl.handle.net/2346/61078