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Journal of Computational Chemistry
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November 13, 2015
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante, Jochen Autschbach, Rebecca K Carlson, et al.
The Journal of Physical Chemistry. A
|
July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics
Felix Plasser, Hans Lischka, Ron Shepard, et al.
Faraday Discussions
|
October 15, 2024
Stochastic and low-scaling techniques: general discussion
Ali Alavi, Marcus Allen, Kemal Atalar, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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Search research articles
Search
Showing results (91-100 of 96) with videos related to
Sort By:
Page
of 10
You have reached the last page of results.
This site can display upto 96 results.
Journal of Computational Chemistry
|
November 13, 2015
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante, Jochen Autschbach, Rebecca K Carlson, et al.
The Journal of Physical Chemistry. A
|
July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics
Felix Plasser, Hans Lischka, Ron Shepard, et al.
Faraday Discussions
|
October 15, 2024
Stochastic and low-scaling techniques: general discussion
Ali Alavi, Marcus Allen, Kemal Atalar, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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of 10