Yukio Yamaguchi
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Chemistry
Yukio Yamaguchi's Degrees
- PhD Chemistry Kyoto University
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(Suggest an Edit or Addition)Yukio Yamaguchi's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- The diagonal correction to the Born–Oppenheimer approximation: Its effect on the singlet–triplet splitting of CH2 and other molecular effects (1986) (356)
- Semiconductor quantum dot/albumin complex is a long-life and highly photostable endosome marker. (2003) (296)
- Analytic Raman intensities from molecular electronic wave functions (1986) (283)
- A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules (1990) (255)
- A New Dimension to Quantum Chemistry: Analytic Derivative Methods in AB Initio Molecular Electronic Structure Theory (1994) (248)
- Analytic gradients from correlated wave functions via the two‐particle density matrix and the unitary group approach (1980) (243)
- Analytic evaluation and basis set dependence of intensities of infrared spectra (1986) (242)
- Quantum Dots Targeted to the Assigned Organelle in Living Cells (2004) (213)
- Laser-induced shape transformation of gold nanoparticles below the melting point: the effect of surface melting. (2005) (187)
- The balance between theoretical method and basis set quality: A systematic study of equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared intensities (1993) (164)
- Generalization of analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces, including a solution to the coupled perturbed Hartree–Fock equations for multiconfiguration SCF molecular wave functions (1982) (161)
- A systematic theoretical study of harmonic vibrational frequencies: The ammonium ion NH4+ and other simple molecules (1980) (157)
- Structure and morphology of self-assembled 3-mercaptopropyltrimethoxysilane layers on silicon oxide (2001) (150)
- Analytic second derivatives in restricted Hartree–Fock theory. A method for high‐spin open‐shell molecular wave functions (1982) (147)
- Growth of a semiconductor nanoparticle ring during the drying of a suspension droplet (1999) (138)
- Overview of Nanoparticle Array Formation by Wet Coating (2003) (130)
- Vibrational frequency shifts in hydrogen-bonded systems: the hydrogen fluoride dimer and trimer (1984) (108)
- An analysis of the infrared and Raman spectra of the formic acid dimer (HCOOH)2 (1987) (106)
- Unified theoretical treatment of analytic first and second energy derivatives in open-shell Hartree—Fock theory (1982) (106)
- Analytic second derivative techniques for self-consistent-field wave functions. A new approach to the solution of the coupled perturbed hartree-fock equations (1983) (102)
- Reaction path Hamiltonian: Tunneling effects in the unimolecular isomerization HNC→HCN (1980) (101)
- Features of the H2CO potential energy hypersurface pertinent to formaldehyde photodissociation (1981) (98)
- Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory. (2011) (93)
- Bimodal Size Distribution of Gold Nanoparticles under Picosecond Laser Pulses. (2005) (87)
- SEMIEMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES: THE MNDO METHOD (1978) (86)
- Multiple “optimum” conditions for Co–Mo catalyzed growth of vertically aligned single-walled carbon nanotube forests (2009) (85)
- Analytic energy second derivatives for general MCSCF wave functions (1984) (83)
- Analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces. A method for open-shell molecular wave functions (1981) (82)
- High Level ab Initio Quantum Mechanical Predictions of Infrared Intensities (2002) (81)
- The decarboxylation and dehydration reactions of monomeric formic acid (1992) (80)
- Analytic third derivatives for self‐consistent‐field wave functions (1984) (77)
- Quantitative study on hydrogen bonding between urethane compound and ethers by infrared spectroscopy (1968) (76)
- The H+5 potential energy hypersurface: Characterization of ten distinct energetically low‐lying stationary points (1987) (75)
- A New dimension to quantum chemistry: Theoretical methods for the analytic evaluation of first, second, and third derivatives of the molecular electronic energy with respect to nuclear coordinates (1986) (73)
- Interpretation of excited state Hartree–Fock analytic derivative anomalies for NO2 and HCO2 using the molecular orbital Hessian (1991) (70)
- Tunneling in the unimolecular decomposition of formaldehyde: a more quantitative study (1981) (68)
- The kinetics of growth of semiconductor nanocrystals in a hot amphiphile matrix. (2000) (67)
- Photoinduced fluorescence enhancement in mono- and multilayer films of CdSe/ZnS quantum dots: dependence on intensity and wavelength of excitation light. (2005) (66)
- Modeling of a rf glow discharge plasma (1989) (64)
- Spectroscopic study of laser-induced phase transition of gold nanoparticles on nanosecond time scales and longer. (2006) (64)
- Molecular clustering about a positive ion. Structures, energetics, and vibrational frequencies of the protonated hydrogen clusters H+3, H+5, H+7, and H+9 (1983) (63)
- Analytic energy second derivatives for general correlated wavefunctions, including a solution of the first-order coupled-perturbed configuration-interaction equations (1983) (59)
- Photoinduced Fluorescence Enhancement in CdSe/ZnS Quantum Dot Submonolayers Sandwiched between Insulating Layers: Influence of Dot Proximity (2004) (59)
- Generalization of analytic energy third derivatives for the RHF closed‐shell wave function: Derivative energy and integral formalisms and the prediction of vibration–rotation interaction constants (1986) (58)
- Water dimer radical cation: structures, vibrational frequencies, and energetics. (2009) (54)
- Analytic energy second derivatives for two-configuration self-consistent-field wave functions. Application to twisted ethylene and to the trimethylene diradical (1983) (52)
- Real time observation and kinetic modeling of the cellular uptake and removal of silicon quantum dots. (2012) (51)
- Time-resolved luminescence spectra in colorless anatase TiO2 single crystal (2005) (46)
- Spectroscopic constants and potential energy surfaces for the possible interstellar molecules A1NC and A1CN (1995) (46)
- Analytic force constants for post‐Hartree–Fock wave functions: The simplest case (1983) (46)
- Photoluminescence Enhancement of a CdSe/ZnS Nanocrystal Thin Film (2004) (45)
- The X̃ 3B1, ã 1A1, b̃ 1B1, and c̃ 1A1 Electronic States of CH2 (1996) (45)
- Optical Memory Media Based on Excitation-Time Dependent Luminescence from a Thin Film of Semiconductor Nanocrystals (2000) (44)
- Is the oxywater radical cation more stable than neutral oxywater (1996) (44)
- Oxirene. To be or not to be (1994) (41)
- Triplet methylnitrene: an indefinitely stable species in the absence of collisions (1980) (41)
- High level ab initio study on the ground state potential energy hypersurface of the HCO+–COH+ system (1994) (40)
- Use of the molecular orbital Hessian for self-consistent-field (SCF) wavefunctions (1990) (40)
- Effect of interfacial interactions on the initial growth of Cu on clean SiO2 and 3-mercaptopropyltrimethoxysilane-modified SiO2 substrates (2002) (39)
- Stable and color-tunable fluorescence from silicon nanoparticles formed by single-step plasma assisted decomposition of SiBr4 (2010) (39)
- Mo studies of polymers. I. Use of MNDO to calculate geometries, vibrational frequencies and the electronic band structures of polymers; formalism and application to polyethylene (1979) (39)
- Growth window and possible mechanism of millimeter-thick single-walled carbon nanotube forests. (2007) (39)
- A computational investigation of the RF plasma structures and their production efficiency in the frequency range from HF to VHF (1993) (39)
- Vibrational frequencies of the HF dimer from the coupled cluster method including all single and double excitations plus perturbative connected triple excitations (1995) (38)
- MNDO calculations of molecular electric polarizabilities, hyperpolarizabilities, and nonlinear optical coefficients (1978) (38)
- Self-organized pattern formation of cracks perpendicular to the drying direction of a colloidal suspension (2012) (37)
- NO2 radical spectroscopy: Vibrational frequencies, dipole moment, and the energy difference between the bent and linear stationary points on the ground state potential surface (1989) (35)
- Selective labeling of the endoplasmic reticulum in live cells with silicon quantum dots. (2011) (35)
- Simulation model of concentrated colloidal nanoparticulate flows. (2008) (35)
- The anharmonic force fields of silyl fluoride and silyl chloride (1988) (34)
- Direct simulation of drying colloidal suspension on substrate using immersed free surface model (2015) (33)
- Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition. (2004) (33)
- The effects of triple and quadruple excitations in configuration interaction procedures for the quantum mechanical prediction of molecular properties (1988) (33)
- Self-Assembling Process of Colloidal Particles into Two-Dimensional Arrays Induced by Capillary Immersion Force: A Simulation Study With Discrete Element Method (2003) (33)
- Analytic energy third derivatives for open-shell self-consistent-field wavefunctions (1986) (32)
- Dimethylcarbene: A Singlet Ground State? (1995) (32)
- The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN(2). (2010) (32)
- The unimolecular dissociation of H2CO on the lowest triplet potential-energy surface (1998) (32)
- The role of σ and π stabilization in benzene, allyl cation and allyl anion. A canonical orbital energy derivative study (1995) (31)
- A high level theoretical investigation of the cyclic hydrogen fluoride trimer (1997) (31)
- Multiscale Simulation of Two-Dimensional Self-Organization of Nanoparticles in Liquid Film (2004) (31)
- Isomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene (1993) (31)
- Water cluster interpretation of IR absorption spectra in the 8-14-microm wavelength region. (1979) (31)
- Nonlinear Photoluminescence Behavior in Closely Packed CdSe Nanocrystal Thin Films (2001) (30)
- Analytic evaluation of infrared intensities and polarizabilities by two-configuration self-consistent field wave functions (1986) (30)
- Theoretical studies of diphosphene and diphosphinylidene in their closed-shell states, low-lying open-shell singlet and triplet states, and transition states. Search for a stable bridged structure. (1986) (30)
- Size- and surface chemistry-dependent intracellular localization of luminescent silicon quantum dot aggregates (2012) (29)
- The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions. (2012) (29)
- Application of the Energy Derivative Analysis Method to the Cis Monobridged Equilibrium Structures Al2H2, Si2H2, Ga2H2, and Ge2H2 and the Comparable Stationary Points of B2H2 and C2H2 (1994) (28)
- Low-lying triplet electronic states of acetylene:cis3B2 and3A2,trans3Bu and3Au (1993) (28)
- Microstructure of Silica Particle Monolayer Films Formed by Capillary immersion Force (2003) (27)
- Structures and properties of fluorinated pyridines; assignment of the two homo's of pyridine (1979) (27)
- Second-order coupled perturbed hartree—fock equations for closed-shell and open-shell self-consistent-field wavefunctions (1986) (27)
- Near-field optical recording on a CdSe nanocrystal thin film (2002) (27)
- Photoinduced fluorescence enhancement in CdSe∕ZnS quantum dot monolayers: Influence of substrate (2006) (26)
- Transition state vibrational analysis for the methyl isocyanide rearrangement, CH3NC .fwdarw. CH3CN (1980) (26)
- Isomerization of the interstellar molecule silicon cyanide to silicon isocyanide through two transition states (2003) (25)
- X̃3B1, ã1A1, b̃1B1, and c̃1Electronic States of (1998) (25)
- Multiscale simulation method for self-organization of nanoparticles in dense suspension (2007) (25)
- The à 1Au state and the T2 potential surface of acetylene: Implications for triplet perturbations in the fluorescence spectra of the à state (1996) (24)
- Structuring Knowledge Project in Nanotechnology Materials Program Launched in Japan (2001) (24)
- Growth Valley Dividing Single- and Multi-Walled Carbon Nanotubes: Combinatorial Study of Nominal Thickness of Co Catalyst (2008) (24)
- Self-organized pattern formation of a bacteria colony modeled by a reaction diffusion system and nucleation theory. (2003) (24)
- Spontaneous formation of large-area monolayers of well-ordered nanoparticles via a wet-coating process (2004) (23)
- THERMAL STEREOMUTATIONS OF CYCLOPROPANE AND OF ISOTOPICALLY LABELED CYCLOPROPANES ASSESSED THROUGH AB INITIO COMPUTATIONAL METHODS AND KINETIC ISOTOPE EFFECT CALCULATIONS (1994) (22)
- Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4 (1988) (22)
- Analytic energy second derivatives for paired-excited multi-configuration self-consistent-field wavefunctions. Application of the PE MCSCF model to H2O, CH2, HCN, HCCH, H2CO, NH3, CH4, and C2H4 (1988) (22)
- Aggregates of silicon quantum dots as a drug carrier: selective intracellular drug release based on pH-responsive aggregation/dispersion. (2015) (21)
- Molecular orbital constraint of interaction coordinates. An approximate quadratic potential function (1978) (21)
- The Beryllium tetramer: profiling an elusive molecule. (2011) (21)
- Characterization of flowerlike silicon particles obtained from chemical etching: visible fluorescence and superhydrophobicity. (2010) (21)
- Scratching the surface of the water dication (1999) (21)
- Methylnitrene; theoretical predictions of its molecular structure and comparison with the conventional C-N single bond in methylamine (1989) (20)
- Low-lying triplet states of diphosphene, HP=PH, and diphosphinylidene, H2P=P (1985) (20)
- Effects of the evaporation rate on the segregation in drying bimodal colloidal suspensions (2018) (20)
- Particle growth of magnesium alkoxide as a carrier material for polypropylene polymerization catalyst (2008) (20)
- Comparative energy derivative analyses of the HBO–BOH and AlOH–HAlO potential energy hypersurfaces (1994) (20)
- Analytic Derivative Methods in Molecular Electronic Structure Theory: A New Dimension to Quantum Chemistry and its Applications to Spectroscopy (2011) (19)
- The dissociation mechanism of triplet formaldehyde (1990) (19)
- Phase and orientation control of mesoporous silica thin film via phase transformation (2006) (19)
- An L-shaped equilibrium geometry for germanium dicarbide (GeC2)? Interesting effects of zero-point vibration, scalar relativity, and core–valence correlation (2002) (19)
- 3Σ− and 3Π states of GeC and GeSi: The problematic dissociation energy of GeC (2003) (19)
- The X˜1A1, a˜3B1, a˜1B˜1, and B˜1A1 electronic states of SiH2 (1997) (19)
- Individuals, grasses, and forests of single- and multi-walled carbon nanotubes grown by supported Co catalysts of different nominal thicknesses (2008) (19)
- Reappraisal of the disrotatory transition state for the ring opening of cyclopropane (1991) (19)
- Formation of optically anisotropic films from spherical colloidal particles. (2009) (18)
- Design strategy and development of spherical silicon solar cell with semi-concentration reflector system (2006) (18)
- Oscillating fluorescence in an unstable colloidal dispersion of CdSe/ZnS core/shell quantum dots. (2004) (18)
- What is the lowest energy structure of the NS2 molecule (1990) (18)
- Growth dynamics of Bacillus circulans colony. (2003) (17)
- New Synthesis Method Using Magnesium Alkoxides as Carrier Materials for Ziegler-Natta Catalysts with Spherical Morphology (2008) (17)
- The X̃ 2Π and à 2Σ+ electronic states of the HCSi radical: Characterization of the Renner–Teller effect in the ground state (2001) (17)
- Full configuration interaction benchmarks for the states of methylene (1997) (16)
- Structural and morphological control of nanosized Cu islands on SiO2 using a Ti underlayer (2003) (16)
- Gas-Phase Synthesis of Rough Silicon Nanowires via the Zinc Reduction of Silicon Tetrachloride (2010) (16)
- Effects of methyl sidegroup on the extent of hydrogen bonding and modulus of polyurethane elastomers (1968) (15)
- Alignment of vascular endothelial cells as a collective response to shear flow (2015) (15)
- Triplet states of cyclopropenylidene and its isomers. (2010) (15)
- Organometallic Synthesis of InP Quantum Dots Using Tris(dimethylamino)phosphine as a Phosphorus Source (2004) (15)
- Where to look for the electronic spectrum of hydrogen isocyanide, HNC (1984) (15)
- Mesoscale modeling for self-organization of colloidal systems (2010) (15)
- Energetics of the low-lying isomers of HCCO (2004) (15)
- An abinitio study on the ground state HBO–BOH system (1995) (15)
- Equilibrium geometries for triplet trimethylene, .bul.CH2CH2CH2.bul. (1984) (15)
- X̃ 1A1, ã 3B1, Ã 1B1, and B̃ 1A1 Electronic States of (1997) (14)
- Field Emission Properties of Single-Walled Carbon Nanotubes with a Variety of Emitter Morphologies (2008) (14)
- The mode transition of the bacterial colony (2002) (14)
- A model of amorphous silicon deposition in DC glow discharge in silane (1989) (14)
- Condensation Reactions of Amino Acids under Hydrothermal Conditions with Adiabatic Expansion Cooling (2005) (14)
- Size control of phase-separated liquid crystal droplets in a polymer matrix based on the phase diagram (2012) (14)
- The SiOH+–HSiO+ system: A high level ab initio quantum mechanical study (1995) (14)
- Generalization of analytic energy derivatives for configuration interaction wave functions (1987) (14)
- Calculation of the vibrational frequencies of polyethylene and polyethylene-d4 by the MNDO semi-empirical SCF method (1977) (13)
- Optical anisotropy in packed isotropic spherical particles: indication of nanometer scale anisotropy in packing structure. (2013) (13)
- Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer. (2006) (13)
- .pi.-Bonded complex between aluminum and ethylene (1989) (13)
- Direct measurement of the viscous force between two spherical particles trapped in a thin wetting film (1999) (13)
- Self-assembly of water-dispersed gold nanoparticles stabilized by a thiolated glycol derivative (2005) (13)
- First and second energy derivative analyses of the vinylidene and acetylene triplet state potential energy hypersurfaces (1994) (13)
- The silaketenylidene (SiCO) molecule: Characterization of the X̃ 3Σ− and à 3Π states (2000) (13)
- Effect of growth conditions on the structure of two-dimensional latex crystals: modeling (1999) (13)
- Growth Kinetics of Needle-like Silicon Wires Formed via the Zinc Reduction Reaction of Silicon Tetrachloride (2012) (13)
- The GaOH–HGaO potential energy hypersurface and the necessity of correlating the 3d electrons (1996) (13)
- The 3A2, 1A2, 3B2, and 1B2 electronic states of CH2: Small bond angle states (1997) (13)
- Characterization of the three lowest-lying singlet electronic states of AlOH (2003) (13)
- The low-lying electronic states of nickel cyanide and isocyanide: A theoretical investigation. (2006) (13)
- Kinetic study on gas phase zinc reduction of silicon tetrachloride (2011) (13)
- Use of canonical orbital energy derivatives for closed‐shell self‐consistent‐field wave functions (1993) (13)
- Silylidene (SiCH2) and its isomers: Anharmonic rovibrational analyses for silylidene, silaacetylene, and silavinylidene (2012) (12)
- Phase transition of traveling waves in bacterial colony pattern. (2004) (12)
- The SiOH–HSiO system: A high level quantum mechanical study (1996) (12)
- The H2O++ Ground State Potential Energy Surface (1999) (12)
- Total simulation model of high pressure liquid encapsulated Czochralski crystal growth (1990) (12)
- A MNDO study of the electronic band structure of polyethylene (1977) (12)
- Predictive study of a plasma structure and function in reactive ion etcher driven by very high frequency: Validity of an extended two-dimensional relaxation continuum model (2000) (12)
- The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH). (2005) (11)
- The adiabatic and vertical ionization potentials of NH2 to the three lowest-lying states of NH2+ (1999) (11)
- The hydroxyethynyl radical (CCOH): an accessible isomer of the ketenyl radical (HCCO)? (1998) (11)
- Silacyclopropenylidene and Its Most Important SiC2H2 Isomers (2010) (11)
- The Rovibrational Energy Levels of Quasilinearc1A1Methylene (1996) (11)
- The low-lying electronic excited states of NiCO. (2004) (11)
- Canonical orbital energy derivative studies of the C2H2 and H2CO ground state potential energy hypersurfaces (1994) (11)
- The diazocarbene (CNN) molecule: Characterization of the X̃ 3Σ− and à 3Π electronic states (2004) (10)
- Three Lowest-Lying Electronic States of NH2 (1999) (10)
- Angular dependence in the transmittance from self‐organized striped pattern of refractive indices in photopolymer (2002) (10)
- Diphosphene and diphosphinylidene. (2009) (10)
- Novel deposition method of anti-reflective coating for spherical silicon solar cells (2006) (10)
- High-level ab initio calculation of the rotation-vibration energies in the c {sup 1}A{sub 1} state of methylene, CH{sub 2} (1996) (10)
- Formation of Well-Aligned Thin Films of Rod-Like Nanoparticles via Solvent Evaporation: A Simulation Study (2009) (9)
- Characterization of the HSiN_HNSi system in its electronic ground state. (2009) (9)
- Insertion Reactions of Monovalent Silicon: A Nonvanishing Barrier for the Silylidyne plus Hydrogen Reaction SiH + H2 (1993) (9)
- Self‐organization of striped pattern of refractive indices in photopolymer film (2004) (9)
- Advancing the Search for Cyclopropenylidenecarbene, the Exocyclic Ring Isomer of Diacetylene (1992) (9)
- The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them. (2005) (9)
- Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne. (2006) (9)
- The anomalous behavior of the Zeeman anticrossing spectra of à 1Au acetylene: Theoretical considerations (1996) (9)
- Coupled cluster study of the X̃ 2Π and à 2Σ+ electronic states of the HCGe radical: Renner–Teller splitting and the effects of relativistic corrections (2001) (9)
- Secondary deuterium kinetic isotope effects on the isomerization of the trimethylene diradical to cyclopropane (1996) (8)
- Analytic energy second derivatives for open-shell two-configuration self-consistent-field wave functions: application to carbyne and silyne least-motion insertion reactions (1988) (8)
- The HO2 + ion: A comparison of theoretical methods for the prediction of anharmonic vibrational frequencies (1989) (8)
- An ab initio study on the four electronically lowest-lying states of CH2 using the state-averaged complete active space second-order configuration interaction method (1997) (8)
- Rovibrational energy levels for the electronic ground state of AlOH (2006) (8)
- The 3d Rydberg (3A2) electronic state observed by Herzberg and Shoosmith for methylene (1997) (8)
- Nonlinear Time-Series Analysis of Photoinduced Fluorescence Oscillation in a Water Dispersion of Colloidal Quantum Dots (2003) (8)
- Membrane separation of gases (1978) (8)
- Collective Fluorescence Oscillation in a Water Dispersion of Colloidal Quantum Dots (2003) (7)
- The bending frequency δNS of dinitrogen sulfide (N2S): A theoretical analysis demonstrating the importance of Coriolis coupling terms (1993) (7)
- Structuring knowledge on nanomaterials processing (2004) (7)
- Fabrication of Hierarchical Zeolitic Material from Zeolite Nanoprecursors and Macromolecular Template (2005) (7)
- Anharmonic rovibrational analysis for disilacyclopropenylidene (Si2CH2). (2011) (7)
- Crystal morphology of spherical silicon particles produced by jet-splitting method (2007) (7)
- A mechanistic study of the ring-opening reaction of singlet oxirane (1993) (7)
- Local Structure, Tg, and IR Transparency of Potassium Titanate Glasses and the Local Structure of Calcium Titanate Ceramics (1991) (7)
- Characterization of the X̃2A1 and ã4A2 electronic states of CH2 (2002) (7)
- Correspondence between higher order energy derivative formalisms for restricted Hartree-Fock and correlated wavefunctions (1987) (7)
- Structures and energetics of H(6)(+) clusters. (2009) (6)
- A Theoretical Study of ã4A2 CH2 (2002) (6)
- The Chemical Applicability of Standard Methods Inab Initiomolecular Quantum Mechanics (1995) (6)
- The use of SCF-MO calculations and experimental data in evaluating general quadratic force fields of light atom molecules (1979) (6)
- Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH. (2005) (6)
- Analytic energy third derivatives for paired‐excited multiconfiguration self‐consistent‐field wave functions (1989) (6)
- The electronic spectra of SNS. Low‐lying doublet states (1990) (6)
- Processes and Principles of Self-Ordering of Nanoparticles in a Liquid Phase (2004) (6)
- Low-lying quartet electronic states of nitrogen dioxide. (2007) (6)
- Change of photoluminescence properties of cyano-substituted poly p-phenylene vinylene controlled by photoirradiation (2008) (6)
- Theoretical characterization of the disilaethynyl anion (Si2H (2003) (6)
- Unusual isomers of disilacyclopropenylidene (Si2CH2). (2010) (6)
- Structure and magnetic property of c-axis oriented L10-FePt nanoparticles on TiN/a-Si underlayers (2007) (5)
- Analytical energy third derivatives for two-configuration self-consistent-field wavefunctions (1988) (5)
- The electronic spectrum of NS2 : Low‐lying quartet states (1991) (5)
- X̃ 3Σ− and à 3Π electronic states of linear disilaketenylidene (SiSiO): analysis of the Renner effect in the à 3Π state. Comparison with the analogous multiple bonded systems SiCO, CSiO, and CCO (2002) (5)
- Low-lying triplet states of diphosphene and diphosphinylidene. (2010) (5)
- Simulation Model of Concentrated Colloidal Rod-Like Nanoparticles (2008) (5)
- Anharmonic vibrational analyses for the 1-silacyclopropenylidene molecule and its three isomers (2012) (5)
- A correlation between particle growth and spatiotemporal RF plasma structure (1994) (5)
- What is the true electronic ground state of the disilaethynyl radical (SiSiH): 2B1 or 2A1? (2001) (5)
- TOWARD DETECTION OF AlCH2 AND AlCH IN THE INTERSTELLAR MEDIUM (2013) (5)
- Photoaddition of allenes to p-quinones (1975) (5)
- THE GEOH-HGEO SYSTEM : ARE THE 3D ELECTRONS CORE OR VALENCE ? (1996) (5)
- Coupled cluster investigation on the low-lying electronic states of CuCN and CuNC and the ground state barrier to isomerization. (2007) (5)
- Effects of Frictional Force on the Formation of Colloidal Particle Monolayer during Drying–Study Using Discrete Element Method– [Translated]† (2006) (5)
- The silyl anion (SiH−3): Cubic/quartic force field and anharmonic contributions to the fundamental vibrational frequencies (1991) (5)
- Computation of Capillary Interactions among Many Particles at Free Surface (2013) (5)
- Simulation of the MO film deposition in the magnetron sputtering discharge (1998) (5)
- 1-Germavinylidene (Ge═CH2), germyne (HGeCH), and 2-germavinylidene (H2Ge═C) molecules and isomerization reactions among them: anharmonic rovibrational analyses. (2012) (4)
- Erratum: Analytic evaluation and basis set dependence of intensities of infrared spectra [J. Chem. Phys. 84, 2262 (1986)] (1986) (4)
- The GeOH+–HGeO+ system: A detailed quantum mechanical study (1995) (4)
- Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:). (2010) (4)
- Heterogeneous network polymers: Poly-ϵ-N-carbobenzoxy-L-lysine crosslinked with isocyanate-terminated polyethers (1971) (4)
- BeCH2: the simplest metal carbene. High levels of theory. (2013) (4)
- Concept for laser-assisted nano removal beyond the diffraction limit using photocatalyst nanoparticles (2015) (3)
- THE DISILAKETENYL RADICAL (HSISIO) IN ITS GROUND AND FIRST EXCITED ELECTRONIC STATES (1999) (3)
- Spherical silicon solar cells fabricated by high speed dropping method (2005) (3)
- Two-dimensional transport of submicron particles in capacitively coupled plasma reactor (1997) (3)
- Photoaddition of p-quinones to N-(cyclohexyl)dimethylketenimine (1973) (3)
- Low-Temperature Synthesis of MFe2O4 (M: Co, Ni, Zn) by Capsule HIP Using Hydroxides as Starting Materials (2014) (3)
- The combined use of SCF-MO calculations and frequency data in the evaluation of general harmonic force fields for molecules containing third row elements (1979) (3)
- The combined use of SCF-MO calculations and experimental data in the evaluation of quadratic force fields: MOCIC potential functions for fluoroform, methyl acetylene, and methyl cyanide (1979) (3)
- A Model of Silica Dissolution Based on Acid Dissociation of Internal Silanol (2013) (3)
- Chromium dihydride (CrH2): theoretical evidence for a bent 5B2 ground state (1995) (3)
- Spontaneous photoluminescence oscillation in a colloidal dispersion of CdSe/ZnS core/shell nanocrystals (2004) (3)
- Observation of Phase Transition from Dissolved Organic Semiconducting Materials to Solid Film during Drying (2012) (3)
- The X̃ 1A1, ã 3B1 and à 1B1 Electronic States of the Aluminum Dihydride Anion (1999) (3)
- From acetylene complexes to vinylidene structures: The GeC2H2 system (2011) (2)
- Measurement and kinetic modeling on photoluminescence stability from “trenched” silicon microparticles under continuous excitation (2015) (2)
- Substituent Effects on the Hydrogen Bonding of Urethanes (1971) (2)
- Thin Film of Silica Nanoparticles with Highly Ordered Hemispherical Macropores (2007) (2)
- Quantitative Analysis of the Growth of Bacillus circulans on a Slant Agar Medium (2000) (2)
- Effect of Frictional Force on the Formation of Colloidal Particle Monolayer During Drying (2004) (2)
- Cross-sectional analysis of the core of silicon microparticles formed via zinc reduction of SiCl4 (2017) (2)
- Magnetic susceptibility of arsenic (1970) (2)
- Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects. (2008) (2)
- Methods for the Determination of Internal Energy Contribution to Rubber Elasticity (1971) (2)
- THE EXOTHERMIC PNC → PCN REACTION (2006) (2)
- Statistical Approach to Constructing Predictive Models for Thermal Resistance Based on Operating Conditions (2012) (2)
- Solvent Effects on the Hydrogen Bonding of N-Phenylurethane (1969) (2)
- Material scientific approach to predict nano materials risk of adverse health effects (2009) (2)
- Vibrational energy levels for the electronic ground state of the diazocarbene (CNN) molecule (2008) (2)
- Characterization of the BNNO Radical. (2010) (1)
- Visualization of nano risk research field to clarify domains year by year (2009) (1)
- Structures and transition states of Ge2CH2. (2013) (1)
- Molecular clustering about a positive ion. Structures, energetics, and vibrational frequencies of the protonated hydrogen clusters H/sup +//sub 3/, H/sup +//sub 5/, H/sup +//sub 7/, and H/sup +//sub 9/ (1983) (1)
- Characterization of the X̃A12, ÃB12, and X̃Π2 electronic states of the Ga2H molecule and the X̃A′2 and ÃA″2 isomerization transition states connecting the three minima (2006) (1)
- The 1-silaketenyl radical (HSiCO): Ground and first excited electronic states (2000) (1)
- First and second energy derivative analyses for open-shell self-consistent field wavefunctions (1994) (1)
- QUANTITATIVE EVALUATION OF FOULING UNDER A WELL-DEFINED SHEAR FLOW (2009) (1)
- Multiscale Simulation Method for Self-Organization of Colloidal Nanoparticles during Drying (2004) (1)
- Erratum: “The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2” [J. Chem. Phys. 132, 064308 (2010)] (2010) (1)
- CHARACTERIZATION OF THE $\tilde{X}\,^2 \Pi$ AND Ã2Σ+ ELECTRONIC STATES OF THE PHOSPHAETHYNE CATION (HCP+) (2005) (1)
- Effects of Urethane Group on Properties of Polyurethanes (1970) (1)
- Surface freezing and surface coverage as key factors for spontaneous formation of colloidal fibers in vacuum drying of colloidal suspensions. (2016) (1)
- A coke oven model including thermal decomposition kinetics of tar (1997) (0)
- The Morphology of Spherical Silicons Produced by a Jet-Splitting Method (2004) (0)
- FEATURES OF THE FORMALDEHYDE POTENTIAL ENERGY HYPERSURFACE PERTINENT TO FORMALDEHYDE PHOTODISSOCIATION (1981) (0)
- Copolymer of an olefinically unsaturated Mitril, an alkyl vinyl ether and an acrylamide derivative or a methacrylamide derivative (1973) (0)
- THE HYDRATION OF THE QUARTERNARY AMMONIUM SALTS DEDUCED FROM THE MEASUREMENTS OF VISCOSITY AND NMR (1975) (0)
- to set the system of analysis conditions for a thermal analysis of a fluid in a vorrichtng (1990) (0)
- The silaketenylidene „ SiCO ... molecule : Characterization of the X̃ 3 S À and à 3 P states (2015) (0)
- Synthesis of dimethyloldi-hydroxyethylene thiourea as a textile processing agent (1988) (0)
- Plasma-Assisted Formation of Silicon Nanoparticles Using SiBr4 (2008) (0)
- Nanostructure and electrical properties of organic semiconductor thin films prepared by wet and dry processing: (2012) (0)
- Self-Organization of Monolayer of Polystyrene Spheres Assisted with Silica Nanoparticles by Wet Coating (2004) (0)
- Low-Lying Open-Shell Singlet and Triplet States , and Transition States . Search for a Stable Bridged Structuret (2001) (0)
- MAGNETIC FIELD AND TEMPERATURE DEPENDENCES OF SUSCEPTIBILITY AND RESISTIVITY IN DILUTE Rh--Fe AND Au--V ALLOYS. (1971) (0)
- Photoinduced Film Formation of Colloidal CdSe Quantum Dots (2008) (0)
- Nonlinear Photoluminescence Behavior in Closely Packed CdSe NanNocrystal Thin Films : Surfaces, Interfaces, and Films (2001) (0)
- Analytic evaluation of infrared intensities and polarizabilities by two-configuration field wave functions (1986) (0)
- Simulation of Concentrated Colloidal Nanoparticles in Simple Shear between Parallel Flat Plates (2008) (0)
- Evaporation-Induced Self-Assembly of Colloidal Particles into Two-Dimensional Array during Drying (2002) (0)
- Surface polishing method and apparatus (1999) (0)
- The relationship between crystallity of spherical silicons and processing method. (2004) (0)
- Spontaneous Photoluminescence Oscillation in a Colloidal Dispersion of Semiconductor Nanocrystals (2004) (0)
- Bimodal size distribution of gold nanoparticles in aqueous solution during pulsed laser irradiation (2004) (0)
- Classification of drying segregation states by a generalized diffusion model. (2020) (0)
- REVERSIBLE OPTICAL RECORDING ON A CdSe/ZnS NANOCRYSTAL THIN FILM (2005) (0)
- Control of the Post-Shear Induced Order in Colloidal Suspensions Toward Higher Crystallinity (2004) (0)
- Softening of Polyurethnae Elastomers (1970) (0)
- THE AB INITIO STUDY OF IRON CYANIDE AND IRON ISOCYANIDE, AND ITS SURPRISING RESULTS (2003) (0)
- The Cis Monobridged Equilibrium Geometries of Si2H2, Ge2H2, Al2H2, and Ga2H2: A Fundamentally New Type of Molecular Structure (1993) (0)
- Structure of ultra-short pulse plasma for CVD processing (1992) (0)
- Mesoscale modeling of colloidal suspensions with adsorbing solutes. (2014) (0)
- PHOTOADDITION OF P-QUINONES TO N-(CYCLOHEXYL)-DIMETHYLKETENIMINE (1974) (0)
- Patterned films of ITO nanoparticles fabricated by Ink-jet method (2004) (0)
- π-Bonded Complex Between Aluminum and Ethylene. (1989) (0)
- The diazocarbene (CNN) molecule: characterization of the X 3Sigma- and A 3Pi electronic states. (2004) (0)
- Silica Nanoparticles Thin Film of Highly Ordered Hemisphere Macropores by Wet Coating (2004) (0)
- Size- and structure-dependent toxicity of silica particulates (2011) (0)
- Network Formation of Polyether-diisocyanate with Anionic Catalystt (1972) (0)
- Characterization of the X̃ 2 Π and à 2 Σ + Electronic States of the Phospaethyne cation (HCP + ) (2005) (0)
- CONTROL OF NANOSTRUCTURE OF MATERIALS (2008) (0)
- Thin films of semiconductor nanocrystals self-assembled by wet coating (2001) (0)
- Breakthrough of Sublimation Drying by Liquid Phase Deposition (2021) (0)
- An Analysis of the IR and Raman Spectra of the Formic Acid Dimer (HCOOH)2 (1988) (0)
- Effects of Particle Size on the Monolayer Structure of Nanospheres (2004) (0)
- A method for machining a spiral portion (1995) (0)
- Quantitative Study of Surface Deprotonation Induced Settling Mode Transition of Silica Colloidal Particles (2010) (0)
- Particle-scale modeling of the drying characteristics of colloidal suspensions (2022) (0)
- MOLECULAR ORBITAL CONSTRAINT OF INTERACTION COORDINATES, MOCIC: AN APPROXIMATE POTENTIAL FUNCTION (1977) (0)
- TRANSITION STATE VIBRATIONAL ANALYSIS FOR THE METHYL ISOCYANIDE REARRANGEMENT, CH3NC → CH3CN (1980) (0)
- A model of self-assemling nanoparticles due to capillary forces (2001) (0)
- Outline and Future Challenges of the Internship Programs in the Department of Chemical System Engineering, University of Tokyo (2009) (0)
- COMPARATIVE ANALYSIS OF THE RENNER EFFECT IN THE $\tilde{A}^{3}\Pi$ STATE OF CCO, CSiO, SiCO, AND SiSiO WITH EQUATION OF MOTION COUPLED CLUSTER THEORY (EOM-CCSD) (2000) (0)
- Combinatorial Control of Catalyst Nanoparticles for Customized Production of Single- and Multi-Walled Carbon Nanotubes (2007) (0)
- Characterization of the [Xtilde] 1Σ+ à 3Π and à 1Π electronic states of BBO (2003) (0)
- The 2-silaketenyl radical (HCSiO): Ground and first excited electronic states (2000) (0)
- EQUILIBRIUM GEOMETRIES FOR TRIPLET TRIMETHYLENE, ·CH2CH2CH2· (1984) (0)
- Nanostructure and properties of solution processed oxide semiconductor films for thin film transistors or transparent conductive electrodes (2014) (0)
- Effect of hydrogen plasma for spherical Si solar cells fabricated by high speed dropping method (2005) (0)
- Simulation of Structure Formation and Physical Properties of Colloidal Rod-like Nanoparticles in Drying Process (2008) (0)
- Methylnitrene: Theoretical Predictions of Its Molecular Structure and Comparison with the Conventional C-N Single Bond in Methylamine. (1989) (0)
- Exhaustive mapping of CoMo catalytic activity against their compositions in growing SWNTs from ethanol (2006) (0)
- Theoretical Studies of Diphosphene and Diphosphinylidene in Their Closed-Shell States, Low-Lying Open-Shell Singlet and Triplet States, and Transition States. Search for a Stable Bridged Structure (1987) (0)
- Principles of Two-Dimensional Self-Assembly of Nanoparticles in Thin Liquid Films (2004) (0)
- 30p-YK-7 Threshold Electron Spectroscopy of heteronuclear dimers of rare gases (1997) (0)
- Reaction Kinetics of the Surface Modification of CdSe/ZnS Core/Shell Nanocrystal (2004) (0)
- High Speed and Large Area Coating by Silica Thin Film with Self-organized Two Dimensional Macro Pores (2004) (0)
- Analytic Evaluation of IR Intensities and Polarizabilities by Two-Configuration SCF Wave Functions (1986) (0)
- The Relation between Chemical Structure and Equilibrium Rubber Elasticity of Polyurethane Elastomers (1969) (0)
- Three Lowest‐Lying Electronic States of NH2. (1999) (0)
- The morphology and molecular orientation of Oligophenylene thin films by Organic Molecular Beam Deposition method (1998) (0)
- Incubation Period and Nucleation Kinetics during Laser Reduction of Gold Complex (2004) (0)
- Elementary constituents of microdevices: the Ge2H fragment. (2006) (0)
- Novel analytical method of nanoparticle dispersibility in polymer nanocomposites; TEM-CT and 3D topological analysis (2006) (0)
- Effect of Coating and Drying Process on the Optical Properties of Pi-conjugated polymers (2012) (0)
- Reaction of Amino Acids in a Subcritical and Supercritical Water Flow Reactor with Adiabatic Expansion Cooling (2004) (0)
- Publisher’s Note: “The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH)” [J. Chem. Phys. 123, 014313 (2005)] (2006) (0)
- Characterization of the X2A1, A2B1, and X2Pi electronic states of the Ga2H molecule and the X2A' and A 2A" isomerization transition states connecting the three minima. (2006) (0)
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What Schools Are Affiliated With Yukio Yamaguchi?
Yukio Yamaguchi is affiliated with the following schools:
