| Year |
Citation |
Score |
| 2024 |
Imamura K, Yokogawa D, Sato H. Recent developments and applications of reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED): A hybrid model of quantum chemistry and integral equation theory of molecular liquids. The Journal of Chemical Physics. 160. PMID 38341702 DOI: 10.1063/5.0190116 |
0.327 |
|
| 2023 |
Suda K, Yokogawa D. Theoretical Study of Raman Intensities of -Nitroaniline in Different Solvent Conditions by Using a Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution. The Journal of Physical Chemistry. B. 127: 11023-11030. PMID 38100491 DOI: 10.1021/acs.jpcb.3c04983 |
0.304 |
|
| 2022 |
Imamura K, Yokogawa D, Higashi M, Sato H. Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution. The Journal of Chemical Physics. 157: 204105. PMID 36456221 DOI: 10.1063/5.0122326 |
0.326 |
|
| 2022 |
Suda K, Yokogawa D. Spin-Orbit Coupling Calculation Combined with the Reference Interaction Site Model Self-Consistent Field Explicitly Including Constrained Spatial Electron Density Distribution. Journal of Chemical Theory and Computation. PMID 36069633 DOI: 10.1021/acs.jctc.2c00580 |
0.307 |
|
| 2020 |
Imamura K, Yamazaki T, Yokogawa D, Higashi M, Sato H. Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution. The Journal of Chemical Physics. 152: 194102. PMID 33687226 DOI: 10.1063/5.0008903 |
0.326 |
|
| 2019 |
Suda K, Sarinastiti A, Arifin, Kimura Y, Yokogawa D. Understanding Structural Changes through Excited-State Intramolecular Proton Transfer in 4'-,-Diethylamino-3-hydroxyflavone (DEAHF) in Solution Based on Quantum Chemical Calculations. The Journal of Physical Chemistry. B. PMID 31714084 DOI: 10.1021/acs.jpcb.9b07549 |
0.311 |
|
| 2018 |
Shimizu RY, Yanai T, Kurashige Y, Yokogawa D. Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes. Journal of Chemical Theory and Computation. 14: 5673-5679. PMID 30299949 DOI: 10.1021/acs.jctc.8b00599 |
0.355 |
|
| 2018 |
Suzuki N, Suda K, Yokogawa D, Kitoh-Nishioka H, Irle S, Ando A, Abegão LMG, Kamada K, Fukazawa A, Yamaguchi S. Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical Science. 9: 2666-2673. PMID 29719675 DOI: 10.1039/C8Sc00066B |
0.554 |
|
| 2018 |
Wang C, Fukazawa A, Tanabe Y, Inai N, Yokogawa D, Yamaguchi S. Water-Soluble Phospholo[3,2-b]phosphole P,P'-Dioxide-Based Fluorescent Dyes with High Photostability. Chemistry, An Asian Journal. PMID 29659174 DOI: 10.1002/Asia.201800533 |
0.332 |
|
| 2018 |
Yokogawa D. Coupled Cluster Theory Combined with Reference Interaction Site Model Self-Consistent Field Explicitly Including Spatial Electron Density Distribution. Journal of Chemical Theory and Computation. 14: 2661-2666. PMID 29595975 DOI: 10.1021/acs.jctc.8b00168 |
0.335 |
|
| 2018 |
Yokogawa D. New Generation of the Reference Interaction Site Model Self-Consistent Field Method: Introduction of Constrained Spatial Electron Density Distribution (cSED) Bulletin of the Chemical Society of Japan. 91: 1540-1545. DOI: 10.1246/Bcsj.20180179 |
0.43 |
|
| 2017 |
Arifin, Yokogawa D, Schnupf U, Irle S. Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences. The Journal of Physical Chemistry. B. PMID 29271652 DOI: 10.1021/Acs.Jpcb.7B10270 |
0.546 |
|
| 2017 |
Nishimoto Y, Kondo H, Yamaguchi K, Yokogawa D, Yamaguchi J, Itami K, Irle S. Theoretical Elucidation of Potential Enantioselectivity in a Pd-Catalyzed Aromatic C-H Coupling Reaction. The Journal of Organic Chemistry. PMID 28398736 DOI: 10.1021/Acs.Joc.6B02675 |
0.47 |
|
| 2017 |
Suda K, Yokogawa D. Theoretical Study on Non-Radiative Decay of Dimethylaminobenzonitrile Through Triplet State in Gas Phase, Non-Polar, and Polar Solutions. The Journal of Physical Chemistry. B. PMID 28206757 DOI: 10.1021/Acs.Jpcb.6B11654 |
0.364 |
|
| 2017 |
Yokogawa D, Arifin. Electrostatic Potential Charge including Spatial Electron Density Distribution (SEDD): Application to Biosystems Bulletin of the Chemical Society of Japan. 90: 831-837. DOI: 10.1246/Bcsj.20170099 |
0.321 |
|
| 2017 |
Kitoh-Nishioka H, Yokogawa D, Irle S. Förster Resonance Energy Transfer between Fluorescent Proteins: Efficient Transition Charge-Based Study The Journal of Physical Chemistry C. 121: 4220-4238. DOI: 10.1021/Acs.Jpcc.7B00833 |
0.557 |
|
| 2016 |
Yokogawa D. Time-dependent density functional theory (TD-DFT) coupled with reference interaction site model self-consistent field explicitly including spatial electron density distribution (RISM-SCF-SEDD). Journal of Chemical Physics. 145: 94101-94101. PMID 27608983 DOI: 10.1063/1.4962062 |
0.415 |
|
| 2016 |
Usui K, Irle S, Yokogawa D. Understanding of the Off-On Response Mechanism in Caged Fluorophores Based on Quantum and Statistical Mechanics. The Journal of Physical Chemistry. B. 120: 4449-56. PMID 27136197 DOI: 10.1021/Acs.Jpcb.6B02298 |
0.571 |
|
| 2016 |
Osaki H, Chou CM, Taki M, Welke K, Yokogawa D, Irle S, Sato Y, Higashiyama T, Saito S, Fukazawa A, Yamaguchi S. A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime. Angewandte Chemie (International Ed. in English). PMID 27121201 DOI: 10.1002/Anie.201602239 |
0.513 |
|
| 2016 |
Arifin, Puripat M, Yokogawa D, Parasuk V, Irle S. Glucose transformation to 5-hydroxymethylfurfural in acidic ionic liquid: A quantum mechanical study. Journal of Computational Chemistry. 37: 327-35. PMID 26453901 DOI: 10.1002/Jcc.24214 |
0.56 |
|
| 2015 |
Usui K, Ando M, Yokogawa D, Irle S. Understanding the On-Off Switching Mechanism in Cationic Tetravalent Group-V-Based Fluoride Molecular Sensors Using Orbital Analysis. The Journal of Physical Chemistry. A. PMID 26647787 DOI: 10.1021/Acs.Jpca.5B09709 |
0.542 |
|
| 2015 |
Kido K, Kasahara K, Yokogawa D, Sato H. A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: multi-center molecular Ornstein-Zernike self-consistent field approach. The Journal of Chemical Physics. 143: 014103. PMID 26156461 DOI: 10.1063/1.4923007 |
0.395 |
|
| 2015 |
Yokogawa D. Exchange repulsive potential adaptable for electronic structure changes during chemical reactions. Journal of Chemical Physics. 142: 164109. PMID 25933754 DOI: 10.1063/1.4919343 |
0.378 |
|
| 2015 |
Yamaguchi E, Fukazawa A, Kosaka Y, Yokogawa D, Irle S, Yamaguchi S. A benzophosphole P-oxide with an electron-donating group at 3-position: Enhanced fluorescence in polar solvents Bulletin of the Chemical Society of Japan. 88: 1545-1552. DOI: 10.1246/Bcsj.20150238 |
0.553 |
|
| 2015 |
Kikui K, Hayaki S, Kido K, Yokogawa D, Kasahara K, Matsumura Y, Sato H, Sakaki S. Solvent structure of ionic liquid with carbon dioxide Journal of Molecular Liquids. DOI: 10.1016/J.Molliq.2015.06.061 |
0.36 |
|
| 2014 |
Suzuki N, Fukazawa A, Nagura K, Saito S, Kitoh-Nishioka H, Yokogawa D, Irle S, Yamaguchi S. A strap strategy for construction of an excited-state intramolecular proton transfer (ESIPT) system with dual fluorescence. Angewandte Chemie (International Ed. in English). 53: 8231-5. PMID 24931485 DOI: 10.1002/Anie.201404867 |
0.553 |
|
| 2014 |
Nishimoto Y, Yokogawa D, Yoshikawa H, Awaga K, Irle S. Super-reduced polyoxometalates: excellent molecular cluster battery components and semipermeable molecular capacitors. Journal of the American Chemical Society. 136: 9042-52. PMID 24885348 DOI: 10.1021/Ja5032369 |
0.528 |
|
| 2014 |
Nishimura Y, Yokogawa D, Irle S. Theoretical study of cellobiose hydrolysis to glucose in ionic liquids Chemical Physics Letters. 603: 7-12. DOI: 10.1016/J.Cplett.2014.04.014 |
0.561 |
|
| 2013 |
Yokogawa D. Linear response approximation to reference interaction site model self-consistent field explicitly including spatial electron density distribution. Free energy. Journal of Chemical Physics. 138: 164109-164109. PMID 23635113 DOI: 10.1063/1.4802001 |
0.395 |
|
| 2013 |
Yokogawa D. New fitting approach of electrostatic potential for stable quantum mechanical calculations using the reference interaction site model Chemical Physics Letters. 587: 113-117. DOI: 10.1016/J.Cplett.2013.09.062 |
0.371 |
|
| 2013 |
Sumimoto M, Kawashima Y, Yokogawa D, Hori K, Fujimoto H. Influences of dispersion and long-range corrections on molecular structures of three types of lithium phthalocyanine dimer International Journal of Quantum Chemistry. 113: 272-276. DOI: 10.1002/Qua.24072 |
0.345 |
|
| 2012 |
Yokogawa D. Development of the isotropic site-site potential for exchange repulsion energy and combination with the isotropic site-site potential for electrostatic part. Journal of Chemical Physics. 137: 204101-204101. PMID 23205975 DOI: 10.1063/1.4766312 |
0.364 |
|
| 2012 |
Kido K, Yokogawa D, Sato H. A modified repulsive bridge correction to accurate evaluation of solvation free energy in integral equation theory for molecular liquids. The Journal of Chemical Physics. 137: 024106. PMID 22803527 DOI: 10.1063/1.4733393 |
0.379 |
|
| 2012 |
Sumimoto M, Yokogawa D, Kawashima Y, Hori K, Fujimoto H. Theoretical and experimental study on the excited states of the X-, α- and β-forms of lithium phthalocyanine. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 91: 118-25. PMID 22366622 DOI: 10.1016/J.Saa.2012.01.077 |
0.392 |
|
| 2012 |
Sumimoto M, Kuroda T, Yokogawa D, Yamamoto H, Hori K. Theoretical study on a new active species for the Pd(II)-catalyzed Mizoroki–Heck reaction Journal of Organometallic Chemistry. 710: 26-35. DOI: 10.1016/J.Jorganchem.2012.03.008 |
0.307 |
|
| 2012 |
Kido K, Yokogawa D, Sato H. The development of a revised version of multi-center molecular Ornstein–Zernike equation Chemical Physics Letters. 531: 223-228. DOI: 10.1016/J.Cplett.2012.02.005 |
0.358 |
|
| 2011 |
Yokogawa D, Ono K, Sato H, Sakaki S. Theoretical study on aquation reaction of cis-platin complex: RISM-SCF-SEDD, a hybrid approach of accurate quantum chemical method and statistical mechanics. Dalton Transactions (Cambridge, England : 2003). 40: 11125-30. PMID 21837319 DOI: 10.1039/C1Dt10703H |
0.403 |
|
| 2011 |
Sumimoto M, Yokogawa D, Komeda M, Yamamoto H, Hori K, Fujimoto H. Theoretical investigation of the molecular structures and excitation spectra of triphenylamine and its derivatives. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 81: 653-60. PMID 21795108 DOI: 10.1016/J.Saa.2011.06.069 |
0.405 |
|
| 2011 |
Sumimoto M, Kawashima Y, Yokogawa D, Hori K, Fujimoto H. Theoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimer. Journal of Computational Chemistry. 32: 3062-7. PMID 21793010 DOI: 10.1002/Jcc.21889 |
0.383 |
|
| 2011 |
Yokogawa D. Development of isotropic site–site potential for exchange repulsion energy based on ab initio calculation. I. Closed shell system Chemical Physics Letters. 515: 179-185. DOI: 10.1016/J.Cplett.2011.08.094 |
0.373 |
|
| 2010 |
Hirano K, Yokogawa D, Sato H, Sakaki S. An analysis of 3D solvation structure in biomolecules: application to coiled coil serine and bacteriorhodopsin. The Journal of Physical Chemistry. B. 114: 7935-41. PMID 20469882 DOI: 10.1021/Jp911470P |
0.357 |
|
| 2010 |
Yokogawa D, Sato H, Sakaki S, Kimura Y. Aqueous solvation of p-aminobenzonitrile in the excited states: a molecular level theory on density dependence. The Journal of Physical Chemistry. B. 114: 910-4. PMID 20039664 DOI: 10.1021/Jp910362Z |
0.412 |
|
| 2010 |
Yokogawa D, Sato H, Sakaki S. An integral equation theory for structural fluctuation in molecular liquid Chemical Physics Letters. 487: 241-245. DOI: 10.1016/J.Cplett.2010.01.061 |
0.339 |
|
| 2009 |
Yokogawa D, Ikegami T. A robust approach to calculate entropy change based on density functional theory in the energy representation. The Journal of Chemical Physics. 131: 221101. PMID 20001013 DOI: 10.1063/1.3272029 |
0.332 |
|
| 2009 |
Yokogawa D, Sato H, Sakaki S. Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution. The Journal of Chemical Physics. 131: 214504. PMID 19968348 DOI: 10.1063/1.3265856 |
0.457 |
|
| 2009 |
Iida K, Yokogawa D, Ikeda A, Sato H, Sakaki S. Carbon dioxide capture at the molecular level. Physical Chemistry Chemical Physics : Pccp. 11: 8556-9. PMID 19774287 DOI: 10.1039/B906912G |
0.302 |
|
| 2009 |
Hayaki S, Kido K, Yokogawa D, Sato H, Sakaki S. A theoretical analysis of a Diels-Alder reaction in ionic liquids. The Journal of Physical Chemistry. B. 113: 8227-30. PMID 19463005 DOI: 10.1021/Jp902599B |
0.349 |
|
| 2009 |
Yokogawa D, Sato H, Imai T, Sakaki S. A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules. The Journal of Chemical Physics. 130: 064111. PMID 19222271 DOI: 10.1063/1.3077209 |
0.338 |
|
| 2009 |
Iida K, Yokogawa D, Sato H, Sakaki S. A systematic understanding of orbital energy shift in polar solvent. The Journal of Chemical Physics. 130: 044107. PMID 19191377 DOI: 10.1063/1.3068531 |
0.349 |
|
| 2009 |
Yokogawa D, Sato H, Sakaki S. The position of water molecules in Bacteriorhodopsin: A three-dimensional distribution function study Journal of Molecular Liquids. 147: 112-116. DOI: 10.1016/J.Molliq.2008.08.003 |
0.323 |
|
| 2008 |
Hayaki S, Yokogawa D, Sato H, Sakaki S. Solvation effects in oxidative addition reaction of Methyliodide to Pt(II) complex: A theoretical study with RISM–SCF method Chemical Physics Letters. 458: 329-332. DOI: 10.1016/J.Cplett.2008.04.116 |
0.34 |
|
| 2007 |
Yokogawa D, Sato H, Sakaki S. New generation of the reference interaction site model self-consistent field method: introduction of spatial electron density distribution to the solvation theory. The Journal of Chemical Physics. 126: 244504. PMID 17614561 DOI: 10.1063/1.2742380 |
0.405 |
|
| 2007 |
Yokogawa D, Sato H, Nakao Y, Sakaki S. Localization or delocalization in the electronic structure of Creutz-Taube-type complexes in aqueous solution. Inorganic Chemistry. 46: 1966-74. PMID 17298050 DOI: 10.1021/Ic060173A |
0.371 |
|
| 2007 |
Sato H, Yokogawa D, Sakaki S. Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory Condensed Matter Physics. 10: 373. DOI: 10.5488/Cmp.10.3.373 |
0.456 |
|
| 2007 |
Sato H, Kawamoto I, Yokogawa D, Sakaki S. Electronic structure and solvation structure of [Ru(CN)6]4- /3- in aqueous solution : A RISM-SCF study Journal of Molecular Liquids. 136: 194-198. DOI: 10.1016/J.Molliq.2007.08.009 |
0.334 |
|
| 2007 |
Iida K, Yokogawa D, Sato H, Sakaki S. The barrier origin on the reaction of CO2 + OH− in aqueous solution Chemical Physics Letters. 443: 264-268. DOI: 10.1016/J.Cplett.2007.06.086 |
0.357 |
|
| 2007 |
Ikeda A, Yokogawa D, Sato H, Sakaki S. Solvation effect on the interaction between sodium and chloride ions in aqueous solution: An analysis based on the new resonance theory International Journal of Quantum Chemistry. 107: 3132-3136. DOI: 10.1002/Qua.21473 |
0.373 |
|
| 2006 |
Yokogawa D, Sato H, Sakaki S. New evaluation of reconstructed spatial distribution function from radial distribution functions. The Journal of Chemical Physics. 125: 114102. PMID 16999461 DOI: 10.1063/1.2345199 |
0.32 |
|
| 2006 |
Ikeda A, Yokogawa D, Sato H, Sakaki S. Solvation effect on resonance structure: Extracting valence bond-like character from molecular orbitals Chemical Physics Letters. 424: 449-452. DOI: 10.1016/J.Cplett.2006.04.083 |
0.383 |
|
| 2005 |
Yokogawa D, Sato H, Sakaki S. A new method to reconstruct three-dimensional spatial distribution function from radial distribution function in solvation structure. The Journal of Chemical Physics. 123: 211102. PMID 16356029 DOI: 10.1063/1.2137695 |
0.345 |
|
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