المؤلفون: Heather M. Netzloff, Mark S. Gordon, Karl Christe, William W. Wilson, Ashwani Vij, Vandana Vij, Jerry A. Boatz

المصدر: The Journal of Physical Chemistry A. 107:6638-6647

مصطلحات موضوعية: Chemistry, Analytical chemistry, Ab initio, Thermodynamics, Infrared spectroscopy, Reaction path, Electronic structure, Physical and Theoretical Chemistry, Nanosecond, Spectroscopy, Isomerization, Decomposition

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e9e85acf83a889d89504b8db4ddebf69
https://doi.org/10.1021/jp030157o

المؤلفون: Heather M. Netzloff, Kevin Huck, Hirotoshi Mori, Mark S. Gordon, Meng-Shiou Wu, Theresa L. Windus, Curtis L. Janssen, Alexander Gaenko, Joseph P. Kenny, Li Li, Lois Curfman McInnes, Boyana Norris

المصدر: Lecture Notes in Computer Science ISBN: 9783642023507
QoSA

مصطلحات موضوعية: Common Component Architecture, Metadata, Software, Computer science, business.industry, Distributed computing, Quality of service, Component (UML), Interoperability, Control reconfiguration, business, Trial and error

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::51e2ce7bb4c35a53620bdcdf3872d453
https://doi.org/10.1007/978-3-642-02351-4_13

المؤلفون: Mark S. Gordon, Heather M. Netzloff, Hui Li

المصدر: The Journal of chemical physics. 125(19)

مصطلحات موضوعية: Chemistry, Ab initio, General Physics and Astronomy, Molecular physics, Dipole, Molecular dynamics, Atomic orbital, Polarizability, Ab initio quantum chemistry methods, Periodic boundary conditions, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Lone pair

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80b052ab8d080cf78789ceeac0ab53af
https://pubmed.ncbi.nlm.nih.gov/17129085

المؤلفون: Heather M. Netzloff

مصطلحات موضوعية: Physics, Molecular dynamics, Reaction dynamics, Computational chemistry, Computation, Quantum dynamics, Potential energy surface, GAMESS, Electronic structure, Statistical physics, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d534e5aff3c98d7cbbf537b570d4c278
https://doi.org/10.2172/835377

المؤلفون: Heather M. Netzloff, Mark S. Gordon

المصدر: Journal of computational chemistry. 25(15)

مصطلحات موضوعية: Speedup, Theoretical computer science, Chemistry, Computation, Ab initio, Solvation, Potential method, General Chemistry, Computational Mathematics, symbols.namesake, symbols, GAMESS, Statistical physics, Hamiltonian (quantum mechanics), Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3dceba1cfd3822002f2c8767a34de489
https://pubmed.ncbi.nlm.nih.gov/15389744

المؤلفون: Vandana Vij, Heather M. Netzloff, Jerry A. Boatz, Karl O. Christe, Ashwani Vij, Mark S. Gordon, William W. Wilson

المصدر: ChemInform. 34

مصطلحات موضوعية: Theoretical physics, Chemistry, General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ccdc3a5637a5b05a82216860df470c08
https://doi.org/10.1002/chin.200347002

المؤلفون: Ashwani Vij, William W. Wilson, Karl Christe, Mark S. Gordon, Heather M. Netzloff

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ad8d645a907ebe71825f268881305b0c
https://doi.org/10.21236/ada412561

المؤلفون: Li Li, Joseph P. Kenny, Meng-shiou Wu, Kevin Huck, Er Gaenko, Mark S. Gordon, Curtis L. Janssen, Lois Curfman Mcinnes, Heather M. Netzloff, Boyana Norris, Theresa L. Windus

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://eprints.cca-forum.org/176/2/paper.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.366.9657; http://eprints.cca-forum.org/176/2/paper.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.366.9657
http://eprints.cca-forum.org/176/2/paper.pdf

المؤلفون: Li Li, Joseph P. Kenny, Meng-shiou Wu, Kevin Huck, Er Gaenko, Mark S. Gordon, Curtis L. Janssen, Lois Curfman Mcinnes, Heather M. Netzloff, Boyana Norris, Theresa L. Windus

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://www.cs.uoregon.edu/~khuck/papers/QoSA2009.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.216.8879; http://www.cs.uoregon.edu/~khuck/papers/QoSA2009.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.216.8879
http://www.cs.uoregon.edu/~khuck/papers/QoSA2009.pdf

المؤلفون: Li Li, Joseph P. Kenny, Meng-shiou Wu, Kevin Huck, Er Gaenko, Mark S. Gordon, Curtis L. Janssen, Lois Curfman Mcinnes, Heather M. Netzloff, Boyana Norris, Theresa L. Windus

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://www.mcs.anl.gov/uploads/cels/papers/P1575.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.148.6008; http://www.mcs.anl.gov/uploads/cels/papers/P1575.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.148.6008
http://www.mcs.anl.gov/uploads/cels/papers/P1575.pdf

المؤلفون: Heather M. Netzloff, Mark S. Gordon

المصدر: The Journal of Chemical Physics. 121:2711

مصطلحات موضوعية: Chemistry, Binding energy, General Physics and Astronomy, Radial distribution, Molecular dynamics, Fragment (logic), Physics::Atomic and Molecular Clusters, Density functional theory, Physics::Chemical Physics, Physical and Theoretical Chemistry, Solvent effects, Perturbation theory, Atomic physics, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::090b75f15126a4554411192abd26bf9c
https://doi.org/10.1063/1.1768511