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Varinia Bernales

Showing results (1-10 of 26) with videos related to

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Journal of Computational Chemistry|November 1, 2018
Rhodium catalyzed hydroformylation of olefinsVarinia Bernales, Robert D Froese
Journal of Chemical Theory and Computation|February 27, 2018
Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?Hung Q Pham, Varinia Bernales, Laura Gagliardi
The Journal of Physical Chemistry Letters|December 13, 2018
Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional TheoryPrachi Sharma, Varinia Bernales, Donald G Truhlar, et al.
Chemical Science|March 8, 2019
Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenesPrachi Sharma, Varinia Bernales, Stefan Knecht, et al.
Physical Chemistry Chemical Physics : PCCP|January 7, 2020
The role of cations in uranyl nanocluster association: a molecular dynamics studyKen Newcomb, Varinia Bernales, Surya Prakash Tiwari, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 11, 2026
Lessons From Drug Discovery for Cryoprotective Agent Design: An AI-Oriented PerspectiveDominika Wilczok, Jesús Valdés-Hernández, Varinia Bernales, et al.
ACS Central Science|February 3, 2018
Computational Design of Functionalized Metal-Organic Framework Nodes for CatalysisVarinia Bernales, Manuel A Ortuño, Donald G Truhlar, et al.
Inorganic Chemistry|July 2, 2015
Bimetallic cobalt-dinitrogen complexes: impact of the supporting metal on N2 activationLaura J Clouston, Varinia Bernales, Rebecca K Carlson, et al.
Journal of the American Chemical Society|February 21, 2018
Structure and Dynamics of Zr<sub>6</sub>O<sub>8</sub> Metal-Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test ReactionDong Yang, Manuel A Ortuño, Varinia Bernales, et al.
Inorganic Chemistry|January 12, 2017
Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide ComplexesMateusz Dembowski, Varinia Bernales, Jie Qiu, et al.
Pageof 3

Showing results (1-10 of 26) with videos related to

Sort By:
Pageof 3
Journal of Computational Chemistry|November 1, 2018
Rhodium catalyzed hydroformylation of olefinsVarinia Bernales, Robert D Froese
Journal of Chemical Theory and Computation|February 27, 2018
Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?Hung Q Pham, Varinia Bernales, Laura Gagliardi
The Journal of Physical Chemistry Letters|December 13, 2018
Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional TheoryPrachi Sharma, Varinia Bernales, Donald G Truhlar, et al.
Chemical Science|March 8, 2019
Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenesPrachi Sharma, Varinia Bernales, Stefan Knecht, et al.
Physical Chemistry Chemical Physics : PCCP|January 7, 2020
The role of cations in uranyl nanocluster association: a molecular dynamics studyKen Newcomb, Varinia Bernales, Surya Prakash Tiwari, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|June 11, 2026
Lessons From Drug Discovery for Cryoprotective Agent Design: An AI-Oriented PerspectiveDominika Wilczok, Jesús Valdés-Hernández, Varinia Bernales, et al.
ACS Central Science|February 3, 2018
Computational Design of Functionalized Metal-Organic Framework Nodes for CatalysisVarinia Bernales, Manuel A Ortuño, Donald G Truhlar, et al.
Inorganic Chemistry|July 2, 2015
Bimetallic cobalt-dinitrogen complexes: impact of the supporting metal on N2 activationLaura J Clouston, Varinia Bernales, Rebecca K Carlson, et al.
Journal of the American Chemical Society|February 21, 2018
Structure and Dynamics of Zr<sub>6</sub>O<sub>8</sub> Metal-Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test ReactionDong Yang, Manuel A Ortuño, Varinia Bernales, et al.
Inorganic Chemistry|January 12, 2017
Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide ComplexesMateusz Dembowski, Varinia Bernales, Jie Qiu, et al.
Pageof 3