Hiromi Nakai

Research interests

Publications

• Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube

  Nature Communications · 2020 · 10.1038/s41467-020-14627-z

• Sodium‐ and Potassium‐Hydrate Melts Containing Asymmetric Imide Anions for High‐Voltage Aqueous Batteries

  Angewandte Chemie International Edition · 2019 · 10.1002/anie.201908830

• Theoretical Analysis of Carrier Ion Diffusion in Superconcentrated Electrolyte Solutions for Sodium-Ion Batteries

  The Journal of Physical Chemistry B · 2018 · 10.1021/acs.jpcb.7b10589

• Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules

  Journal of the American Chemical Society · 2017 · https://doi.org/10.1021/jacs.6b11984

• Electrocatalytic synthesis of ammonia by surface proton hopping

  Chemical Science · 2017 · 10.1039/c7sc00840f

• Theoretical Analysis of Interactions between Potassium Ions and Organic Electrolyte Solvents: A Comparison with Lithium, Sodium, and Magnesium Ions

  Journal of The Electrochemical Society · 2016 · 10.1149/2.0211702jes

• Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide‐and‐conquer, density‐functional tight‐binding, and massively parallel computation

  Journal of Computational Chemistry · 2016 · 10.1002/jcc.24419

• Case of ketoacidosis by a sodium‐glucose cotransporter 2 inhibitor in a diabetic patient with a low‐carbohydrate diet

  Journal of Diabetes Investigation · 2015 · 10.1111/jdi.12330

• Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents

  Journal of The Electrochemical Society · 2013 · 10.1149/2.074311jes

• Local response dispersion method. II. Generalized multicenter interactions

  The Journal of Chemical Physics · 2010 · 10.1063/1.3503040

• Density functional method including weak interactions: Dispersion coefficients based on the local response approximation

  The Journal of Chemical Physics · 2009 · 10.1063/1.3269802

• Subclinical left ventricular dysfunction in asymptomatic diabetic patients assessed by two-dimensional speckle tracking echocardiography: correlation with diabetic duration

  European Journal of Echocardiography · 2009 · 10.1093/ejechocard/jep097

• Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations

  The Journal of Chemical Physics · 2009 · 10.1063/1.3211119

• Platinum and Ruthenium Chloride-Catalyzed Cycloisomerization of 1-Alkyl-2-ethynylbenzenes: Interception of π-Activated Alkynes with a Benzylic C−H Bond

  The Journal of Organic Chemistry · 2009 · 10.1021/jo901045g

• Effects of Aging on Left Atrial Function Assessed by Two-Dimensional Speckle Tracking Echocardiography

  Journal of the American Society of Echocardiography · 2009 · 10.1016/j.echo.2008.11.006

• Rh(II)-Catalyzed Skeletal Reorganization of 1,6- and 1,7-Enynes through Electrophilic Activation of Alkynes

  Journal of the American Chemical Society · 2009 · 10.1021/ja9047637

• Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations

  The Journal of Chemical Physics · 2008 · 10.1063/1.2956490

• Reduced and delayed untwisting of the left ventricle in patients with hypertension and left ventricular hypertrophy: a study using two-dimensional speckle tracking imaging

  European Heart Journal · 2007 · 10.1093/eurheartj/ehm440

• Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method

  The Journal of Chemical Physics · 2007 · 10.1063/1.2761878

• The Assessment of Left Ventricular Twist in Anterior Wall Myocardial Infarction Using Two-dimensional Speckle Tracking Imaging

  Journal of the American Society of Echocardiography · 2007 · 10.1016/j.echo.2006.06.019

• Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction

  Journal of Computational Chemistry · 2007 · 10.1002/jcc.20707

• Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation

  International Journal of Quantum Chemistry · 2007 · 10.1002/qua.21379

• Age-related Changes in Left Ventricular Twist Assessed by Two-dimensional Speckle-tracking Imaging

  Journal of the American Society of Echocardiography · 2006 · 10.1016/j.echo.2006.04.011

• Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions: Ab initio NOMO/MBPT and CC methods

  The Journal of Chemical Physics · 2003 · 10.1063/1.1528951

• Energy density analysis with Kohn–Sham orbitals

  Chemical Physics Letters · 2002 · 10.1016/s0009-2614(02)01151-x

• Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation: Ab initio NO+MO/HF theory

  International Journal of Quantum Chemistry · 2001 · 10.1002/qua.1106

• An extension of ab initio molecular orbital theory to nuclear motion

  Chemical Physics Letters · 1998 · 10.1016/s0009-2614(98)00519-3

Current projects

No projects listed.