{"id":18,"date":"2016-03-10T09:07:50","date_gmt":"2016-03-10T14:07:50","guid":{"rendered":"https:\/\/sites.bu.edu\/mcneely\/?page_id=18"},"modified":"2024-11-15T10:40:54","modified_gmt":"2024-11-15T15:40:54","slug":"presentations","status":"publish","type":"page","link":"https:\/\/sites.bu.edu\/mcneely\/presentations\/","title":{"rendered":"Presentations"},"content":{"rendered":"<div class=\"responsive-table\">\n<table border=\"1\" style=\"width: 100%;\">\n<tbody style=\"font-size: 16px;\">\n<tr>\n<td><strong>Audience<\/strong><\/td>\n<td><strong>Month\/Year<\/strong><\/td>\n<td><strong>Link<\/strong><\/td>\n<\/tr>\n<tr>\n<td>Fall 2024 Tutorials<\/td>\n<td>10\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/10\/DP-Theory_241011_213035.pdf\">ORCA: TD-DFT and NMR Derivations<\/a><\/td>\n<\/tr>\n<tr>\n<td>Fall 2024 Tutorials<\/td>\n<td>10\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/10\/tddft_nmr.pdf\">ORCA: TD-DFT and NMR<\/a><\/td>\n<\/tr>\n<tr>\n<td>Fall 2024 Tutorials<\/td>\n<td>10\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/11\/orca_intro_new.pdf\">Introduction to ORCA<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH195<\/td>\n<td>10\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/10\/cd_pymol_2024.pdf\">ChemDraw and PyMOL: Interacting with molecules in 2 dimensions and 3 dimensions<\/a><\/td>\n<\/tr>\n<tr>\n<td>Fall 2024 Tutorials<\/td>\n<td>09\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/10\/fall_2024_cmd_line.pdf\">Using the Command Line<\/a><\/td>\n<\/tr>\n<tr>\n<td>Fall 2024 Tutorials<\/td>\n<td>09\/2024<\/td>\n<td><a href=\"\/mcneely\/files\/2024\/09\/Using-WebMO.pdf\">Using WebMO<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH354<\/td>\n<td>01\/2022<\/td>\n<td><a href=\"\/mcneely\/files\/2022\/01\/PChem_Webmo_Intro_Spring2022_Redo.pdf\">Introduction to WebMO<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH651<\/td>\n<td>12\/2020<\/td>\n<td><a href=\"\/mcneely\/presentations\/ch651-huckel-matlab\">Implementation of Huckel Theory In MATLAB<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH195<\/td>\n<td>11\/2020<\/td>\n<td><a href=\"\/mcneely\/presentations\/ch195-webmo\">Introduction To WebMO<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH354<\/td>\n<td>04\/2019<\/td>\n<td><a href=\"\/mcneely\/presentations\/ch354-epr\">Introduction To EPR<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH354<\/td>\n<td>12\/2018<\/td>\n<td><a href=\"\/mcneely\/presentations\/ch354-molecular-modeling\">Molecular Modeling<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH195<\/td>\n<td>10\/2018<\/td>\n<td><a href=\"\/mcneely\/presentations\/ch195-chemdraw-pymol\">ChemDraw and PyMOL: Interacting with molecules in 2 and 3 dimensions<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH651<\/td>\n<td>10\/2018<\/td>\n<td><a href=\"\/mcneely\/presentations\/huckel-matlab\">Implementation of Huckel Theory In MATLAB<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH642<\/td>\n<td>10\/2017<\/td>\n<td><a href=\"\/mcneely\/presentations\/transition-state-hunting\">Transition State Hunting<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH642<\/td>\n<td>09\/2017<\/td>\n<td><a href=\"\/mcneely\/presentations\/comp_conf\">Computers and Conformational Analysis<\/a><\/td>\n<\/tr>\n<tr>\n<td>CH635<\/td>\n<td>05\/2017<\/td>\n<td><a href=\"\/mcneely\/presentations\/comp_inorg\">Computational Chemistry for the Inorganic Chemist<\/a><\/td>\n<\/tr>\n<tr>\n<td>Elliott Group<\/td>\n<td>03\/2016<\/td>\n<td><a href=\"\/mcneely\/presentations\/spin-hamiltonian-introduction\/\">Spin Hamiltonian Introduction<\/a><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>Audience Month\/Year Link Fall 2024 Tutorials 10\/2024 ORCA: TD-DFT and NMR Derivations Fall 2024 Tutorials 10\/2024 ORCA: TD-DFT and NMR Fall 2024 Tutorials 10\/2024 Introduction to ORCA CH195 10\/2024 ChemDraw and PyMOL: Interacting with molecules in 2 dimensions and 3 dimensions Fall 2024 Tutorials 09\/2024 Using the Command Line Fall 2024 Tutorials 09\/2024 Using WebMO [&hellip;]<\/p>\n","protected":false},"author":10766,"featured_media":0,"parent":0,"menu_order":7,"comment_status":"closed","ping_status":"closed","template":"page-templates\/no-sidebars.php","meta":[],"_links":{"self":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/18"}],"collection":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/users\/10766"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/comments?post=18"}],"version-history":[{"count":41,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/18\/revisions"}],"predecessor-version":[{"id":1579,"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/pages\/18\/revisions\/1579"}],"wp:attachment":[{"href":"https:\/\/sites.bu.edu\/mcneely\/wp-json\/wp\/v2\/media?parent=18"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}