Determination of apparent activating energy of solubilizing MLV-DPPC and MLV-egg-yolk lecithin with surfactants by rectangular optic diffusimetry
Stefan Hobai · 2001
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Energy: papers
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Electrospray techniques for the study of liquid energetics by hyperquenched glass calorimetry
Li-Min Wang, Steve Borick, C. Austen Angell · 2002
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Least-squares fitting approach using energy, gradient and Hessian data to obtain an accurate quartic force field: Application to H2O and H2CO
Philippe Carbonniere, Didier Begue, Alain Dargelos et al. · 2003
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An energy interconversion principle applied in reaction dynamics for the determination of equilibrium standard states
Christopher G. Jesudason · 2005
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Quantum and classical dynamics of methane scattering
Robin Milot · 2001
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Inner Shell Definition and Absolute Hydration Free Energy of K+(aq) on the Basis of Quasi-chemical Theory and Ab Initio Molecular Dynamics
Susan B. Rempe, D. Asthagiri, Lawrence R. Pratt · 2003
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Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Moller-Plesset perturbation theory
A. Grassi, G. M. Lombardo, G. Forte et al. · Mol. Phys. 104 (2006) 1447 · 2004
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The Law of Conservation of Energy in Chemical Reactions
I. A. Stepanov · 2000
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Extrapolative Analysis of Fast-Switching Free Energy Estimates in a Molecular System
Daniel M. Zuckerman, Thomas B. Woolf · 2001
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Accurate interaction energies from perturbation theory based on Kohn-Sham model
Rafał Podeszwa, Krzysztof Szalewicz · 2005
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The correlation energy as an explicit functional of the one-particle density matrix from a determinantal reference state
James Finley · 2005
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Zirconium oxidation under high energy heavy ion irradiation
N. Bererd, A. Chevarier, N. Moncoffre et al. · Journal of Applied Physics 97 (2005) 083528 (7 pages) · 2004
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W3 theory: robust computational thermochemistry in the kJ/mol accuracy range
A. Daniel Boese, Mikhal Oren, Onur Atasoylu et al. · Journal of Chemical Physics 120, 4129-4141 (2004) · 2003
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Further generalization and numerical implementation of pseudo-time Schroedinger equations for quantum scattering calculations
V. A. Mandelshtam, A. Neumaier · 2002
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Recombination of atomic Hydrogen physisorbed on low-temperature Surfaces
Thomas Govers · 2005
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Single-Particle Green Function Approach and Correlated Atomic or Molecular Orbitals
Liqiang Wei · 2004
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Developments for Reference--State One--Particle Density--Matrix Theory
James P. Finley · 2004
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Thermal Study of the X+YCl (X, Y=H, D) Reactions
Li Yao, Ke-Li Han, He-Shan Song et al. · 2003
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Hydrogen-bonded assembly and binding affinity of the multi-point acceptor and isophthalic acid
Xu Lingjia, Zhu Liangliang, Wu Shi et al. · Open Chemistry · 2006
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Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration and structural properties
Michael Patra, Mikko Karttunen · J. Comput. Chem. 25, 678-689 (2004) · 2003
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