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The Journal of Physical Chemistry. A
|
August 31, 2016
Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes
Dusan N Sredojevic, Rajesh K Raju, Salvador Moncho, et al.
Journal of Computational Chemistry
|
September 14, 2004
PM3-compatible zinc parameters optimized for metalloenzyme active sites
Edward N Brothers, Dimas Suarez, David W Deerfield, et al.
Inorganic Chemistry
|
September 4, 2014
Uptake of one and two molecules of 1,3-butadiene by platinum bis(dithiolene): a theoretical study
Li Dang, Shao Fei Ni, Michael B Hall, et al.
Inorganic Chemistry
|
September 29, 2016
Nickel Bis(diselenolene) as a Catalyst for Olefin Purification
Rajesh K Raju, Dusan N Sredojevic, Salvador Moncho, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
The Journal of Chemical Physics
|
July 30, 2004
A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems
Oleg V Yazyev, Edward N Brothers, Konstantin N Kudin, et al.
The Journal of Chemical Physics
|
July 23, 2004
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: a divide-and-conquer approach
Bing Wang, Edward N Brothers, Arjan van der Vaart, et al.
The Journal of Physical Chemistry. B
|
November 23, 2007
On calculating a polymer's enthalpy of formation with quantum chemical methods
Edward N Brothers, Artur F Izmaylov, Alexander A Rusakov, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian, et al.
Journal of Computational Chemistry
|
March 23, 2019
Tunable model promoters in DFT simulations of catalysts
Andrew Mahler, Kassidy Panno, Benjamin G Janesko, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 63) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
August 31, 2016
Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes
Dusan N Sredojevic, Rajesh K Raju, Salvador Moncho, et al.
Journal of Computational Chemistry
|
September 14, 2004
PM3-compatible zinc parameters optimized for metalloenzyme active sites
Edward N Brothers, Dimas Suarez, David W Deerfield, et al.
Inorganic Chemistry
|
September 4, 2014
Uptake of one and two molecules of 1,3-butadiene by platinum bis(dithiolene): a theoretical study
Li Dang, Shao Fei Ni, Michael B Hall, et al.
Inorganic Chemistry
|
September 29, 2016
Nickel Bis(diselenolene) as a Catalyst for Olefin Purification
Rajesh K Raju, Dusan N Sredojevic, Salvador Moncho, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
The Journal of Chemical Physics
|
July 30, 2004
A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems
Oleg V Yazyev, Edward N Brothers, Konstantin N Kudin, et al.
The Journal of Chemical Physics
|
July 23, 2004
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: a divide-and-conquer approach
Bing Wang, Edward N Brothers, Arjan van der Vaart, et al.
The Journal of Physical Chemistry. B
|
November 23, 2007
On calculating a polymer's enthalpy of formation with quantum chemical methods
Edward N Brothers, Artur F Izmaylov, Alexander A Rusakov, et al.
Journal of Chemical Theory and Computation
|
October 27, 2025
Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
Aleksandr V Marenich, Edward N Brothers, Hrant P Hratchian, et al.
Journal of Computational Chemistry
|
March 23, 2019
Tunable model promoters in DFT simulations of catalysts
Andrew Mahler, Kassidy Panno, Benjamin G Janesko, et al.
Page
of 7