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Physical Chemistry Chemical Physics : PCCP|February 22, 2024
Axial-equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problemHanwei 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 StudyDavide 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 DissociationEdward 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 strategyFilippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Journal of Chemical Theory and Computation|July 18, 2022
A Bond-Energy/Bond-Order and Populations RelationshipBarbaro Zulueta, Sonia V Tulyani, Phillip R Westmoreland, et al.
Stem Cells (Dayton, Ohio)|November 22, 2012
Prostaglandin E2 increases hematopoietic stem cell survival and accelerates hematopoietic recovery after radiation injuryRebecca 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 ApproachFilippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
European Eating Disorders Review : the Journal of the Eating Disorders Association|July 1, 2010
Bariatric surgery: a primer for eating disorder professionalsDonald E McAlpine, Maria J Frisch, Ellen S Rome, et al.
International Journal of Radiation Biology|July 23, 2019
Acute and late effects of combined internal and external radiation exposures on the hematopoietic systemLaura M Calvi, Benjamin J Frisch, Paul D Kingsley, et al.
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