Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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Orbital entanglement in quantum chemistryBoguslawski, Katharina ; Tecmer, PawełInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1289-1295 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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12 |
Material Type: Artigo
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The any particle molecular orbital approach: A short review of the theory and applicationsReyes, Andrés ; Moncada, Félix ; Charry, JorgeInternational journal of quantum chemistry, 2019-01, Vol.119 (2), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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13 |
Material Type: Artigo
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Geometric phases in quantum informationSjoqvist, ErikInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1311-1326 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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14 |
Material Type: Artigo
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Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamicsHele, Timothy J H ; Willatt, Michael J ; Muolo, Andrea ; Althorpe, Stuart CThe Journal of chemical physics, 2015-05, Vol.142 (19), p.191101-191101 [Periódico revisado por pares]United StatesTexto completo disponível |
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15 |
Material Type: Artigo
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Energy transfer in structured and unstructured environments: Master equations beyond the Born-Markov approximationsIles-Smith, Jake ; Dijkstra, Arend G. ; Lambert, Neill ; Nazir, AhsanThe Journal of chemical physics, 2016-01, Vol.144 (4), p.044110-044110 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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16 |
Material Type: Artigo
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Monotonically convergent optimization in quantum control using Krotov's methodReich, Daniel M. ; Ndong, Mamadou ; Koch, Christiane P.The Journal of chemical physics, 2012-03, Vol.136 (10), p.104103-104103-16 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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17 |
Material Type: Artigo
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Efficient and accurate surface hopping for long time nonadiabatic quantum dynamicsKelly, Aaron ; Markland, Thomas EThe Journal of chemical physics, 2013-07, Vol.139 (1), p.014104-014104 [Periódico revisado por pares]United StatesTexto completo disponível |
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18 |
Material Type: Artigo
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Constant size descriptors for accurate machine learning models of molecular propertiesCollins, Christopher R. ; Gordon, Geoffrey J. ; von Lilienfeld, O. Anatole ; Yaron, David J.The Journal of chemical physics, 2018-06, Vol.148 (24), p.241718-241718 [Periódico revisado por pares]United StatesTexto completo disponível |
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19 |
Material Type: Artigo
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Optical properties of charged excitons in two-dimensional semiconductorsGlazov, M. M.The Journal of chemical physics, 2020-07, Vol.153 (3), p.034703-034703 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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20 |
Material Type: Artigo
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Intrinsic Rashba coupling due to hydrogen bonding in DNAVarela, S. ; Montañes, B. ; López, F. ; Berche, B. ; Guillot, B. ; Mujica, V. ; Medina, E.The Journal of chemical physics, 2019-09, Vol.151 (12) [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |