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The Journal of Chemical Physics
|
August 1, 2016
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
Norm M Tubman, Joonho Lee, Tyler Y Takeshita, et al.
Journal of the American Chemical Society
|
January 12, 2023
Highly Altered State of Proton Transport in Acid Pools in Charged Reverse Micelles
Hongxia Hao, Ellen M Adams, Sarah Funke, et al.
Chem
|
July 23, 2020
Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Methods
Mojtaba Haghighatlari, Jie Li, Farnaz Heidar-Zadeh, et al.
Current Opinion in Structural Biology
|
May 11, 2025
Biological insights from integrative modeling of intrinsically disordered protein systems
Zi Hao Liu, Maria Tsanai, Oufan Zhang, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
February 8, 2002
Modeling chemical bonding effects for protein electron crystallography: the transferable fragmental electrostatic potential (TFESP) method
Shijun Zhong, Voichita M Dadarlat, Robert M Glaeser, et al.
Journal of Chemical Theory and Computation
|
August 30, 2019
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near-Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds
Diptarka Hait, Norman M Tubman, Daniel S Levine, et al.
The Journal of Physical Chemistry. A
|
February 4, 2016
A Combined Experimental and Theoretical Study on the Formation of the 2-Methyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reactions of the Silylidyne Radical (SiH; X(2)Π) with Methylacetylene (CH3CCH; X(1)A1) and D4-Methylacetylene (CD3CCD; X(1)A1)
Tao Yang, Beni B Dangi, Ralf I Kaiser, et al.
Chemical Science
|
August 30, 2018
A computational study of CH<sub>4</sub> storage in porous framework materials with metalated linkers: connecting the atomistic character of CH<sub>4</sub> binding sites to usable capacity
Ehud Tsivion, Jarad A Mason, Miguel I Gonzalez, et al.
Arxiv
|
May 20, 2024
A Curated Rotamer Library for Common Post-Translational Modifications of Proteins
Oufan Zhang, Shubhankar A Naik, Zi Hao Liu, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, et al.
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of 63
Search research articles
Search
Showing results (461-470 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Chemical Physics
|
August 1, 2016
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
Norm M Tubman, Joonho Lee, Tyler Y Takeshita, et al.
Journal of the American Chemical Society
|
January 12, 2023
Highly Altered State of Proton Transport in Acid Pools in Charged Reverse Micelles
Hongxia Hao, Ellen M Adams, Sarah Funke, et al.
Chem
|
July 23, 2020
Learning to Make Chemical Predictions: the Interplay of Feature Representation, Data, and Machine Learning Methods
Mojtaba Haghighatlari, Jie Li, Farnaz Heidar-Zadeh, et al.
Current Opinion in Structural Biology
|
May 11, 2025
Biological insights from integrative modeling of intrinsically disordered protein systems
Zi Hao Liu, Maria Tsanai, Oufan Zhang, et al.
Acta Crystallographica. Section A, Foundations of Crystallography
|
February 8, 2002
Modeling chemical bonding effects for protein electron crystallography: the transferable fragmental electrostatic potential (TFESP) method
Shijun Zhong, Voichita M Dadarlat, Robert M Glaeser, et al.
Journal of Chemical Theory and Computation
|
August 30, 2019
What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near-Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds
Diptarka Hait, Norman M Tubman, Daniel S Levine, et al.
The Journal of Physical Chemistry. A
|
February 4, 2016
A Combined Experimental and Theoretical Study on the Formation of the 2-Methyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reactions of the Silylidyne Radical (SiH; X(2)Π) with Methylacetylene (CH3CCH; X(1)A1) and D4-Methylacetylene (CD3CCD; X(1)A1)
Tao Yang, Beni B Dangi, Ralf I Kaiser, et al.
Chemical Science
|
August 30, 2018
A computational study of CH<sub>4</sub> storage in porous framework materials with metalated linkers: connecting the atomistic character of CH<sub>4</sub> binding sites to usable capacity
Ehud Tsivion, Jarad A Mason, Miguel I Gonzalez, et al.
Arxiv
|
May 20, 2024
A Curated Rotamer Library for Common Post-Translational Modifications of Proteins
Oufan Zhang, Shubhankar A Naik, Zi Hao Liu, et al.
Nature Reviews. Chemistry
|
February 11, 2026
Foundation models for atomistic simulation of chemistry and materials
Eric C-Y Yuan, Yunsheng Liu, Junmin Chen, et al.
Page
of 63