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David Casanova

Showing results (71-80 of 153) with videos related to

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The Journal of Chemical Physics|February 5, 2009
Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examplesDavid Casanova, Lyudmila V Slipchenko, Anna I Krylov, et al.
Molecules (Basel, Switzerland)|January 8, 2023
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene AggregatesYasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, et al.
Materials Advances|September 16, 2021
Switching between TADF and RTP: anion-regulated photoluminescence in organic salts and co-crystalsZhen Xu, Duane Hean, Clàudia Climent, et al.
Nanoscale|April 16, 2024
Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted <i>ab initio</i> quantum dynamicsSraddha Agrawal, Bipeng Wang, Yifan Wu, et al.
The Journal of Physical Chemistry Letters|June 23, 2026
Efficient Nonadiabatic Molecular Dynamics with Machine Learning Hamiltonian InterpolationYifan Wu, Bipeng Wang, Mohit Chaudhary, et al.
Journal of the American Chemical Society|February 12, 2004
Minimal distortion pathways in polyhedral rearrangementsDavid Casanova, Jordi Cirera, Miquel Llunell, et al.
Physical Chemistry Chemical Physics : PCCP|November 22, 2012
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flipsFranziska Bell, Paul M Zimmerman, David Casanova, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2017
Photosensitization mechanism of Cu(ii) porphyrinsJon Uranga, Jon M Matxain, Xabier Lopez, et al.
Journal of Chemical Theory and Computation|May 5, 2016
Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State MethodsAntonio Prlj, María Eugenia Sandoval-Salinas, David Casanova, et al.
Journal of Chemical Theory and Computation|June 10, 2024
Physically Motivated Improvements of Variational Quantum EigensolversNonia Vaquero-Sabater, Abel Carreras, Román Orús, et al.
Pageof 16

Showing results (71-80 of 153) with videos related to

Sort By:
Pageof 16
The Journal of Chemical Physics|February 5, 2009
Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examplesDavid Casanova, Lyudmila V Slipchenko, Anna I Krylov, et al.
Molecules (Basel, Switzerland)|January 8, 2023
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene AggregatesYasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, et al.
Materials Advances|September 16, 2021
Switching between TADF and RTP: anion-regulated photoluminescence in organic salts and co-crystalsZhen Xu, Duane Hean, Clàudia Climent, et al.
Nanoscale|April 16, 2024
Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted <i>ab initio</i> quantum dynamicsSraddha Agrawal, Bipeng Wang, Yifan Wu, et al.
The Journal of Physical Chemistry Letters|June 23, 2026
Efficient Nonadiabatic Molecular Dynamics with Machine Learning Hamiltonian InterpolationYifan Wu, Bipeng Wang, Mohit Chaudhary, et al.
Journal of the American Chemical Society|February 12, 2004
Minimal distortion pathways in polyhedral rearrangementsDavid Casanova, Jordi Cirera, Miquel Llunell, et al.
Physical Chemistry Chemical Physics : PCCP|November 22, 2012
Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flipsFranziska Bell, Paul M Zimmerman, David Casanova, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2017
Photosensitization mechanism of Cu(ii) porphyrinsJon Uranga, Jon M Matxain, Xabier Lopez, et al.
Journal of Chemical Theory and Computation|May 5, 2016
Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State MethodsAntonio Prlj, María Eugenia Sandoval-Salinas, David Casanova, et al.
Journal of Chemical Theory and Computation|June 10, 2024
Physically Motivated Improvements of Variational Quantum EigensolversNonia Vaquero-Sabater, Abel Carreras, Román Orús, et al.
Pageof 16