BibSonomy bookmarks for /tag/perturbationhttps://www.bibsonomy.org/tag/perturbationBibSonomy RSS Feed for /tag/perturbationSingle Cell Perturbation Dataset Explorerhttps://www.scperturb.org/becker2022-08-26T16:46:42+02:00atac cell dataset datasets perturbation seq single <a itemprop="url" data-versiondate="2022-08-26T16:46:42+02:00" href="https://www.scperturb.org/" rel="nofollow" class="description-link">https://www.scperturb.org/</a>Serial Collapses of Ancient Pueblo Societies Offer a Stark Warning For Today's Worldhttps://www-sciencealert-com.cdn.ampproject.org/v/s/www.sciencealert.com/serial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-world/amp?amp_gsa=1&_js_v=a9&usqp=mq331AQIKAGwASCAAgM%3D#amp_tf=From%20%251%24s&aoh=16575777109916&csi=0&referrer=https%3A%2F%2Fwww.google.com&share=https%3A%2F%2Fwww.sciencealert.com%2Fserial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-worldbshanks2022-08-01T22:55:16+02:00civilization complexsystems perturbation resilience <a itemprop="url" data-versiondate="2022-08-01T22:55:16+02:00" href="https://www-sciencealert-com.cdn.ampproject.org/v/s/www.sciencealert.com/serial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-world/amp?amp_gsa=1&amp_js_v=a9&usqp=mq331AQIKAGwASCAAgM%3D#amp_tf=From%20%251%24s&aoh=16575777109916&csi=0&referrer=https%3A%2F%2Fwww.google.com&ampshare=https%3A%2F%2Fwww.sciencealert.com%2Fserial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-world" rel="nofollow" class="description-link">https://www-sciencealert-com.cdn.ampproject.org/v/s/www.sciencealert.com/serial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-world/amp?amp_gsa=1&amp_js_v=a9&usqp=mq331AQIKAGwASCAAgM%3D#amp_tf=From%20%251%24s&aoh=16575777109916&csi=0&referrer=https%3A%2F%2Fwww.google.com&ampshare=https%3A%2F%2Fwww.sciencealert.com%2Fserial-collapses-of-ancient-pueblo-societies-offer-a-stark-warning-for-today-s-world</a>Symmetry-Adapted Perturbation TheorySAPT is a collection of computer codes designed to implement the many-body (body = electron) version of Symmetry-Adapted Perturbation Theory for intermolecular interactions. This code has been extensively used in studies of intermolecular forces. For a description of SAPT see: B. Jeziorski, R. Moszynski, and K. Szalewicz “Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes”, Chem. Rev. 94, 1887-1930 (1994).http://www.physics.udel.edu/~szalewic/SAPT/index.htmldrmatusek2013-01-03T04:15:49+01:00chemistry fock hartree perturbation quantum software theory <span itemprop="description">SAPT is a collection of computer codes designed to implement the many-body (body = electron) version of Symmetry-Adapted Perturbation Theory for intermolecular interactions. This code has been extensively used in studies of intermolecular forces. For a description of SAPT see: B. Jeziorski, R. Moszynski, and K. Szalewicz “Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes”, Chem. Rev. 94, 1887-1930 (1994).</span>CCCBDB Computational Chemistry Comparison and Benchmark DatabaseThe Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.http://cccbdb.nist.gov/drmatusek2012-03-02T05:58:07+01:00NIST chemistry cluster coupled database density fock functional hartree perturbation quantum theory <span itemprop="description">The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.</span>PyQuante: Python Quantum ChemistryPyQuante is an open-source suite of programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.http://pyquante.sourceforge.netdrmatusek2012-02-26T04:14:33+01:00chemistry density fock functional hartree perturbation programming python quantum software theory <span itemprop="description">PyQuante is an open-source suite of programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.</span>PSI: An Ab Initio Quantum Chemistry PackagePSI is an ab initio quantum chemistry software package using MC-SCF, CC, CI, MP2, MP2-R12 methods.http://www.psicode.orgdrmatusek2012-02-26T04:09:18+01:00chemistry cluster configuration coupled interaction mcscf perturbation quantum software theory <span itemprop="description">PSI is an ab initio quantum chemistry software package using MC-SCF, CC, CI, MP2, MP2-R12 methods.</span>NWChem: High Performance Computational Chemistry SoftwareNWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.http://www.nwchem-sw.orgdrmatusek2012-02-26T03:51:51+01:00chemistry cluster configuration coupled density functional interaction mcscf perturbation python quantum software theory <span itemprop="description">NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.</span>Official Gaussian WebsiteGaussian is full-feature quantum chemistry software package with HF, CC, and DFT wave functions.http://www.gaussian.com/drmatusek2012-02-26T01:41:37+01:00chemistry cluster coupled density fock functional hartree perturbation quantum software theory <span itemprop="description">Gaussian is full-feature quantum chemistry software package with HF, CC, and DFT wave functions.</span>