Search research articles
Contact Us
Filters
Showing results (151-160 of 649) with videos related to
Page
of 65
Sort By:
The Journal of Chemical Physics
|
June 3, 2010
An implicit solvent coarse-grained lipid model with correct stress profile
Alex J Sodt, Teresa Head-Gordon
The Journal of Chemical Physics
|
June 15, 2007
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptides
Rajesh K Murarka, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
Post-modern valence bond theory for strongly correlated electron spins
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
August 3, 2014
Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation
Nicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics
|
October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip required
Nicholas J Mayhall, Martin Head-Gordon
Nature Communications
|
September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bond
Daniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics
|
October 15, 2018
Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur cluster
David W Small, Martin Head-Gordon
Chemical Reviews
|
October 3, 2018
Computational Design of Synthetic Enzymes
Valerie Vaissier Welborn, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
July 1, 2020
Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals
Srimukh Prasad Veccham, Martin Head-Gordon
The Journal of Chemical Physics
|
February 4, 2025
Repartitioning the Hamiltonian in many-body second-order Brillouin-Wigner perturbation theory: Uncovering new size-consistent models
Linus Bjarne Dittmer, Martin Head-Gordon
Page
of 65
Search research articles
Search
Showing results (151-160 of 649) with videos related to
Sort By:
Page
of 65
The Journal of Chemical Physics
|
June 3, 2010
An implicit solvent coarse-grained lipid model with correct stress profile
Alex J Sodt, Teresa Head-Gordon
The Journal of Chemical Physics
|
June 15, 2007
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptides
Rajesh K Murarka, Teresa Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
Post-modern valence bond theory for strongly correlated electron spins
David W Small, Martin Head-Gordon
The Journal of Chemical Physics
|
August 3, 2014
Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation
Nicholas J Mayhall, Martin Head-Gordon
The Journal of Chemical Physics
|
October 10, 2014
Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip required
Nicholas J Mayhall, Martin Head-Gordon
Nature Communications
|
September 30, 2020
Clarifying the quantum mechanical origin of the covalent chemical bond
Daniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics
|
October 15, 2018
Independent amplitude approximations in coupled cluster valence bond theory: Incorporation of 3-electron-pair correlation and application to spin frustration in the low-lying excited states of a ferredoxin-type tetrametallic iron-sulfur cluster
David W Small, Martin Head-Gordon
Chemical Reviews
|
October 3, 2018
Computational Design of Synthetic Enzymes
Valerie Vaissier Welborn, Teresa Head-Gordon
Journal of Chemical Theory and Computation
|
July 1, 2020
Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals
Srimukh Prasad Veccham, Martin Head-Gordon
The Journal of Chemical Physics
|
February 4, 2025
Repartitioning the Hamiltonian in many-body second-order Brillouin-Wigner perturbation theory: Uncovering new size-consistent models
Linus Bjarne Dittmer, Martin Head-Gordon
Page
of 65