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The Journal of Physical Chemistry. B
|
July 18, 2019
Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data
Yudong Qiu, Paul S Nerenberg, Teresa Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
June 20, 2024
Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond
Selim Sami, R Allen LaCour, Joseph P Heindel, et al.
Journal of the American Chemical Society
|
March 12, 2004
Aromaticity of four-membered-ring 6pi-electron systems: N2S2 and Li2C4H4
Yousung Jung, Thomas Heine, Paul V R Schleyer, et al.
The Journal of Chemical Physics
|
June 24, 2017
Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2020
Molecular growth upon ionization of van der Waals clusters containing HCCH and HCN is a pathway to prebiotic molecules
Tamar Stein, Partha P Bera, Timothy J Lee, et al.
Journal of Chemical Theory and Computation
|
November 29, 2018
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
Joonho Lee, William J Huggins, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
Joonho Lee, Adam Rettig, Xintian Feng, et al.
Chemical Science
|
April 21, 2018
Dynamical inversion of the energy landscape promotes non-equilibrium self-assembly of binary mixtures
Luis Ruiz Pestana, Natalie Minnetian, Laura Nielsen Lammers, et al.
The Journal of Physical Chemistry. A
|
December 8, 2005
Unrestricted perfect pairing: the simplest wave-function-based model chemistry beyond mean field
Gregory J O Beran, Brian Austin, Alex Sodt, et al.
Page
of 63
Search research articles
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Showing results (361-370 of 626) with videos related to
Sort By:
Page
of 63
The Journal of Physical Chemistry. B
|
July 18, 2019
Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data
Yudong Qiu, Paul S Nerenberg, Teresa Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
June 20, 2024
Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond
Selim Sami, R Allen LaCour, Joseph P Heindel, et al.
Journal of the American Chemical Society
|
March 12, 2004
Aromaticity of four-membered-ring 6pi-electron systems: N2S2 and Li2C4H4
Yousung Jung, Thomas Heine, Paul V R Schleyer, et al.
The Journal of Chemical Physics
|
June 24, 2017
Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2020
Molecular growth upon ionization of van der Waals clusters containing HCCH and HCN is a pathway to prebiotic molecules
Tamar Stein, Partha P Bera, Timothy J Lee, et al.
Journal of Chemical Theory and Computation
|
November 29, 2018
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
Joonho Lee, William J Huggins, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters
|
December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost
James Shee, Matthias Loipersberger, Adam Rettig, et al.
Journal of Chemical Theory and Computation
|
December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set Limit
Joonho Lee, Adam Rettig, Xintian Feng, et al.
Chemical Science
|
April 21, 2018
Dynamical inversion of the energy landscape promotes non-equilibrium self-assembly of binary mixtures
Luis Ruiz Pestana, Natalie Minnetian, Laura Nielsen Lammers, et al.
The Journal of Physical Chemistry. A
|
December 8, 2005
Unrestricted perfect pairing: the simplest wave-function-based model chemistry beyond mean field
Gregory J O Beran, Brian Austin, Alex Sodt, et al.
Page
of 63