Search Results for Molecules. - Narrowed by: Computational chemistry.

Developments in the QM/MM Approach to Modelling Polar Molecules and Applications to HIV-1 Protease

2026-03-15T09:26:55Z

by Wang, Qiantao, author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:13871156
Format: Books

Explicitly Correlated Gaussian Functions and Rovibrational Spectra of Diatomic Molecules

2026-03-15T09:26:55Z

by Jones, Keith, author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10824620
Format: Books

Corannulene eta(ETA)5-coordination with Transition Metals: A Theoretical Study

2026-03-15T09:26:55Z

by Lu, Xiang, author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10793003
Format: Books

Estimation of Ring Strain Energies of Organic and Metallacycles and the Mechanistic Study of the Reduction of Ketones with 1-Hydridosilatrane

2026-03-15T09:26:55Z

by De Lio, Ashley M., author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10788099
Format: Books

From Virtual High-throughput Screening and Machine Learning to the Discovery and Rational Design of Polymers for Optical Applications

2026-03-15T09:26:55Z

by Afzal, Mohammad Atif Faiz, author. (orcid)0000-0001-8261-2024
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10807879
Format: Books

Fast Isotope Ratio Mass Spectrometry (FIRMS): A Tandem Mass Spectrometry Technique for the Rapid and Semi-comprehensive Evaluation of Isotope Ratios

2026-03-15T09:26:55Z

by Ochieng, Fredrick, author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10810615
Format: Books

Calcium and Membrane Association for the C2 Domains of Synaptotagmin 1 and Synaptotagmin 7 by Molecular Dynamics

2026-03-15T09:26:55Z

by Chon, Nara Lee, author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10789137
Format: Books

Molecular Level Studies on the Cannabinoid Receptor Type 1 (CB1): Biased Signaling and MD Simulations

2026-03-15T09:26:55Z

by Al Zoubi, Rufaida M., author.
http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqm&rft_dat=xri:pqdiss:10751796
Format: Books

Theory and applications of computational chemistry : the first forty years

2026-03-15T09:26:55Z

by Dykstra, Clifford E.
ScienceDirect http://www.sciencedirect.com/science/book/9780444517197
Format: Electronic Resources