Search research articles
Contact Us
Filters
Showing results (521-530 of 626) with videos related to
Page
of 63
Sort By:
Journal of Chemical Theory and Computation
|
March 12, 2020
Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method
Norm M Tubman, C Daniel Freeman, Daniel S Levine, et al.
Journal of Chemical Theory and Computation
|
July 7, 2025
Regularized Second-Order Møller-Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule Problems
Zhenling Wang, Tianyi Shi, Weiliang Luo, et al.
Journal of the American Chemical Society
|
October 18, 2012
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI
Paul M Zimmerman, Diana C Tranca, Joseph Gomes, et al.
Accounts of Chemical Research
|
July 24, 2008
Contrasting disease and nondisease protein aggregation by molecular simulation
Nicolas Lux Fawzi, Eng-Hui Yap, Yuka Okabe, et al.
Nature Computational Science
|
May 11, 2026
SmileyLlama: modifying large language models for directed chemical space exploration
Joseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Journal of Computational Chemistry
|
November 3, 2016
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver
Lisa E Felberg, David H Brookes, Eng-Hui Yap, et al.
Journal of the American Chemical Society
|
April 17, 2008
Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations
Nicolas L Fawzi, Aaron H Phillips, Jory Z Ruscio, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2022
Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework
Romit Chakraborty, Kurtis M Carsch, David E Jaramillo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 15, 2017
Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
Jeroen Van der Mynsbrugge, Amber Janda, Li-Chiang Lin, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
More Numerical Precision for Less Compute Cost: Optimizing a Local Correlation Algorithm for Second Order Møller-Plesset Theory and Comparing against Pair Natural Orbital Methods
Zhenling Wang, Haobo Ling, Tianyi Shi, et al.
Page
of 63
Search research articles
Search
Showing results (521-530 of 626) with videos related to
Sort By:
Page
of 63
Journal of Chemical Theory and Computation
|
March 12, 2020
Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method
Norm M Tubman, C Daniel Freeman, Daniel S Levine, et al.
Journal of Chemical Theory and Computation
|
July 7, 2025
Regularized Second-Order Møller-Plesset Theory: Linear Scaling Implementation and Assessment on Large-Molecule Problems
Zhenling Wang, Tianyi Shi, Weiliang Luo, et al.
Journal of the American Chemical Society
|
October 18, 2012
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI
Paul M Zimmerman, Diana C Tranca, Joseph Gomes, et al.
Accounts of Chemical Research
|
July 24, 2008
Contrasting disease and nondisease protein aggregation by molecular simulation
Nicolas Lux Fawzi, Eng-Hui Yap, Yuka Okabe, et al.
Nature Computational Science
|
May 11, 2026
SmileyLlama: modifying large language models for directed chemical space exploration
Joseph M Cavanagh, Kunyang Sun, Andrew Gritsevskiy, et al.
Journal of Computational Chemistry
|
November 3, 2016
PB-AM: An open-source, fully analytical linear poisson-boltzmann solver
Lisa E Felberg, David H Brookes, Eng-Hui Yap, et al.
Journal of the American Chemical Society
|
April 17, 2008
Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations
Nicolas L Fawzi, Aaron H Phillips, Jory Z Ruscio, et al.
The Journal of Physical Chemistry Letters
|
November 3, 2022
Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework
Romit Chakraborty, Kurtis M Carsch, David E Jaramillo, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 15, 2017
Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
Jeroen Van der Mynsbrugge, Amber Janda, Li-Chiang Lin, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
More Numerical Precision for Less Compute Cost: Optimizing a Local Correlation Algorithm for Second Order Møller-Plesset Theory and Comparing against Pair Natural Orbital Methods
Zhenling Wang, Haobo Ling, Tianyi Shi, et al.
Page
of 63