| scholarly article | Q13442814 |
| P356 | DOI | 10.1063/1.2008234 |
| P698 | PubMed publication ID | 16392495 |
| P2093 | author name string | Hideaki Takahashi | |
| Nobuyuki Matubayasi | |||
| Tomoshige Nitta | |||
| Yuko Kawashima | |||
| P2860 | cites work | An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water. | Q51534639 |
| A quantum chemical approach to the free energy calculations in condensed systems: the QM/MM method combined with the theory of energy representation. | Q51626544 | ||
| High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases | Q56745022 | ||
| Incorporation of solvent effects into density functional calculations of molecular energies and geometries | Q56866707 | ||
| Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model | Q56885205 | ||
| Higher-order finite-difference pseudopotential method: An application to diatomic molecules | Q21708524 | ||
| Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density | Q21708802 | ||
| Density-functional exchange-energy approximation with correct asymptotic behavior | Q21709057 | ||
| Inhomogeneous Electron Gas | Q21709392 | ||
| Density-functional thermochemistry. III. The role of exact exchange | Q25938987 | ||
| Self-Consistent Equations Including Exchange and Correlation Effects | Q25939002 | ||
| Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen | Q26778446 | ||
| Comparison of simple potential functions for simulating liquid water | Q26778447 | ||
| COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient | Q29011962 | ||
| Mass spectrometer study of evaporation of alpha-amino acids | Q43511457 | ||
| P433 | issue | 12 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 124504 | |
| P577 | publication date | 2005-09-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution | |
| P478 | volume | 123 |
| Q51227001 | A modern solvation theory: quantum chemistry and statistical chemistry. |
| Q53123663 | Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory. |
| Q46221411 | Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation |
| Q51095591 | Computation of the free energy due to electron density fluctuation of a solute in solution: a QM/MM method with perturbation approach combined with a theory of solutions. |
| Q37093855 | Interfacing ab initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical Reactions |
| Q35052511 | Predicting Fixation Tendencies of the H3N2 Influenza Virus by Free Energy Calculation. |
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