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Physical Chemistry Chemical Physics : PCCP
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November 8, 2013
Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes
Andreas W Hauser, Joseph Gomes, Michal Bajdich, et al.
Chemical Science
|
October 20, 2023
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
Mario Motta, Kevin J Sung, K Birgitta Whaley, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Search for stratospheric bromine reservoir species: theoretical study of the photostability of mono-, tri-, and pentacoordinated bromine compounds
Timothy J Lee, Cesar N Mejia, Gregory J O Beran, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
Ryan P Steele, Robert A Distasio, Martin Head-Gordon, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2020
A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies
Srimukh Prasad Veccham, Joonho Lee, Yuezhi Mao, et al.
Arxiv
|
September 16, 2024
Computational Methods to Investigate Intrinsically Disordered Proteins and their Complexes
Zi Hao Liu, Maria Tsanai, Oufan Zhang, et al.
Biorxiv : the Preprint Server for Biology
|
April 17, 2026
DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
Tianyu Liu, Sihan Jiang, Fan Zhang, et al.
Digital Discovery
|
June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Mojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data
|
May 17, 2022
A benchmark dataset for Hydrogen Combustion
Xingyi Guan, Akshaya Das, Christopher J Stein, et al.
The Journal of Chemical Physics
|
July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Page
of 63
Search research articles
Search
Showing results (421-430 of 626) with videos related to
Sort By:
Page
of 63
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2013
Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes
Andreas W Hauser, Joseph Gomes, Michal Bajdich, et al.
Chemical Science
|
October 20, 2023
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
Mario Motta, Kevin J Sung, K Birgitta Whaley, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Search for stratospheric bromine reservoir species: theoretical study of the photostability of mono-, tri-, and pentacoordinated bromine compounds
Timothy J Lee, Cesar N Mejia, Gregory J O Beran, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
Ryan P Steele, Robert A Distasio, Martin Head-Gordon, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2020
A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energies
Srimukh Prasad Veccham, Joonho Lee, Yuezhi Mao, et al.
Arxiv
|
September 16, 2024
Computational Methods to Investigate Intrinsically Disordered Proteins and their Complexes
Zi Hao Liu, Maria Tsanai, Oufan Zhang, et al.
Biorxiv : the Preprint Server for Biology
|
April 17, 2026
DrugPlayGround: Benchmarking Large Language Models and Embeddings for Drug Discovery
Tianyu Liu, Sihan Jiang, Fan Zhang, et al.
Digital Discovery
|
June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Mojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data
|
May 17, 2022
A benchmark dataset for Hydrogen Combustion
Xingyi Guan, Akshaya Das, Christopher J Stein, et al.
The Journal of Chemical Physics
|
July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Page
of 63