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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Variation of the Energy Landscape of a Small Peptide under a Change from the ECEPP/2 Force Field to ECEPP/3
Frank Eisenmenger, Ulrich H. E. Hansmann · J. Phys. Chem. B 101 (1997) 3304 -3310 · 1997
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Ab initio thermochemistry beyond chemical accuracy for first-and second-row compounds
Jan M. L. Martin · NATO ASI Series C 535, 373-415 (1999) [ISBN 0-7923-5741-8] · 1998
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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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Ultra-low energy scattering of a He atom off a He dimer
E. A. Kolganova, A. K. Motovilov, S. A. Sofianos · Phys. Rev. A., 1997, v. 56, No. 3, pp. 1686--1689R · 1998
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Quantum and classical dynamics of methane scattering
Robin Milot · 2001
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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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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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Theoretical calculation of the surface energy of water
Naohisa Ogawa, Yoshiki Matsuura · 2004
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Calculation of the Critical Temperature for 2- and 3-Dimensional Ising Models and for 2-Dimensional Potts Models Using the Transfer Matrix Method
M. Ghaemi, G. A. Parsafar, M. Ashrafizaadeh · J.Phys.Chem. B105 (2001) 10355-10359 · 2004
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Density functional calculations of planar DNA base-pairs
Maider Machado, Pablo Ordejon, Emilio Artacho et al. · 1999
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Generalized Heitler-London Theory for H_3: A Comparison of the Surface Integral Method with Perturbation Theory
Tanja I. Sachse, Ulrich Kleinekathoefer · 2000
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State-Specific Kohn-Sham Density Functional Theory
James P. Finley · 2005
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