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Journal of Chemical Theory and Computation
|
April 29, 2017
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
Franco Egidi, David B Williams-Young, Alberto Baiardi, et al.
Journal of Computational Chemistry
|
February 27, 2016
Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach
Davide Presti, Frédéric Labat, Alfonso Pedone, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2024
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem
Hanwei Li, Eric Brémond, Juan Carlos Sancho-García, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study
Davide Presti, Fréderic Labat, Alfonso Pedone, et al.
The Journal of Physical Chemistry. A
|
November 8, 2023
Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation
Edward N Brothers, Ashfaq A Bengali, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy
Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
July 18, 2022
A Bond-Energy/Bond-Order and Populations Relationship
Barbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, et al.
Leukemia
|
January 1, 1995
GM-CSF in a double-blind randomized, placebo controlled trial in therapy of adult patients with de novo acute myeloid leukemia (AML)
G Heil, L Chadid, D Hoelzer, et al.
Stem Cells (Dayton, Ohio)
|
November 22, 2012
Prostaglandin E2 increases hematopoietic stem cell survival and accelerates hematopoietic recovery after radiation injury
Rebecca L Porter, Mary A Georger, Olga Bromberg, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach
Filippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
Page
of 22
Search research articles
Search
Showing results (151-160 of 214) with videos related to
Sort By:
Page
of 22
Journal of Chemical Theory and Computation
|
April 29, 2017
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route
Franco Egidi, David B Williams-Young, Alberto Baiardi, et al.
Journal of Computational Chemistry
|
February 27, 2016
Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach
Davide Presti, Frédéric Labat, Alfonso Pedone, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 22, 2024
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem
Hanwei Li, Eric Brémond, Juan Carlos Sancho-García, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Computational Protocol for Modeling Thermochromic Molecular Crystals: Salicylidene Aniline As a Case Study
Davide Presti, Fréderic Labat, Alfonso Pedone, et al.
The Journal of Physical Chemistry. A
|
November 8, 2023
Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation
Edward N Brothers, Ashfaq A Bengali, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy
Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
July 18, 2022
A Bond-Energy/Bond-Order and Populations Relationship
Barbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, et al.
Leukemia
|
January 1, 1995
GM-CSF in a double-blind randomized, placebo controlled trial in therapy of adult patients with de novo acute myeloid leukemia (AML)
G Heil, L Chadid, D Hoelzer, et al.
Stem Cells (Dayton, Ohio)
|
November 22, 2012
Prostaglandin E2 increases hematopoietic stem cell survival and accelerates hematopoietic recovery after radiation injury
Rebecca L Porter, Mary A Georger, Olga Bromberg, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach
Filippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
Page
of 22