M. Yoshimine

发表

CI study of the water dimer potential surface

O. Matsuoka, E. Clementi, M. Yoshimine, 1976 .

Molecular Properties Which Depend on the Square of the Electronic Coordinates; H2 and NNO

A. D. McLean, M. Yoshimine, 1966 .

Signs of the Rotational Magnetic Moment and Electric Dipole Moment of CO

A. D. McLean, M. Yoshimine, 1966 .

Computed Ground‐State Properties of FH and CH

A. D. McLean, M. Yoshimine, 1967 .

Abinitio and model potential calculations for the ground state of SO2

M. Yoshimine, S. Huzinaga, 1978 .

Band strengths for electric dipole transitions from ab initio computation: Lio (X 2Π −X 2Π), (A 2Σ+−A 2Σ+), (X 2Π − A 2Σ+); AlO (X 2Σ+−X 2Σ+), (A 2Π −A 2Π), (X 2Σ+−A 2Π), (B 2Σ+−B 2Σ+), (X 2Σ+−B 2Σ+)

A. D. McLean, M. Yoshimine, Bowen Liu, 1973 .

Chemical Bonding Effects in the Oxygen Kα X-Ray Emission Bands of Silica

W. J. Stevens, M. Yoshimine, P. Bagus, 1973 .

The alchemy configuration interaction method. I. The symbolic matrix method for determining elements of matrix operators

M. Yoshimine, Bowen Liu, 1981 .

AB Initio Computation of Molecular Structures Through Configuration Interaction

A. D. McLean, M. Yoshimine, P. Bagus, 1973 .

Matrix Elements of z/r3 and (3z2—r2)/r5 in a Slater Basis for Linear Systems

A. D. McLean, M. Yoshimine, 1967 .

A theoretical study of the predissociation of the c 4Σ−u state of O+2

M. Yoshimine, K. Tanakaa, 1979 .

Theoretical study on lower electronic states of the FeSi molecule

M. Yoshimine, Kiyoshi Tanaka, M. Sekiya, 2003 .

Configuration-interaction study of atoms. I. Correlation energies of B, C, N, O, F, and Ne

M. Yoshimine, F. Sasaki, 1974 .

Abinitio studies on the radiationless deexcitation mechanism of ketene and its rearrangement to oxiranylidene

M. Yoshimine, 1989 .

Configuration-interaction study of atoms. II. Electron affinities of B, C, N, O, and F

M. Yoshimine, F. Sasaki, M. Yoshimine, 1974 .

A theoretical study of the electron affinity of methylene

M. Yoshimine, T. Noro, 1989 .

Configuration Interaction in the Hydrogen Molecule—The Ground State

A. D. McLean, M. Yoshimine, A. Weiss, 1960 .

ACCURATE ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS. II. LOWEST CONFIGURATIONS OF THE NEUTRAL FIRST ROW ATOMS

E. Clementi, M. Yoshimine, C. Roothaan, 1962 .

Calculated Potential-Energy Curves for CH +

A. D. McLean, M. Yoshimine, P. Bagus, 1972 .

Ground states of linear molecules: Dissociation energies and dipole moments in the hartree–fock approximation

A. D. McLean, M. Yoshimine, 2009 .

Computed Ground State properties of BeO, MgO, CaO and SrO in Molecular Orbital Approximation

M. Yoshimine, 1968 .

Higher Polarizabilities of Linear Molecules

A. D. McLean, M. Yoshimine, 1967 .

Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case

A. D. McLean, G. Schwenzer, H. Schaefer, 1973 .

Ab initio molecular orbital study of the rearrangement of fluoroallene to singlet fluorovinylmethylene

M. Yoshimine, J. Pacansky, N. Honjou, 1994 .

Construction of the hamiltonian matrix in large configuration interaction calculations

M. Yoshimine, M Yoshimine, 1973 .

ALCHEMY II: A Research Tool for Molecular Electronic Structure and Interactions

A. D. McLean, M. Yoshimine, P. Bagus, 1990 .

On the dissociation energy of Mg2

A. D. McLean, M. Yoshimine, C. Bauschlicher, 1990 .

Theoretical study of nitro–nitrite rearrangement of CH3NO2

M. Yoshimine, R. Saxon, 1992 .

Theory of Molecular Polarizabilities

A. D. McLean, M. Yoshimine, Megumu Yoshimine, 1967 .

Ab initio studies of the C3H4 surface I. SCF and CI study of structures and stabilities of isomers

M. Yoshimine, J. Pacansky, N. Honjou, 1985 .

The C3H4 surface

M. Yoshimine, J. Pacansky, N. Honjou, 1984 .

An ab initio study on ketene, hydroxyacetylene, formylmethylene, oxirene, and their rearrangement paths

M. Yoshimine, Kiyoshi Tanaka, 1980 .

Theoretical studies on the barriers for internal rotation of the methyl groups in the tert-butyl radical

M. Yoshimine, J. Pacansky, 1986 .

Ab initio studies of the C3H4 surface. 3. Thermal isomerization

M. Yoshimine, J. Pacansky, N. Honjou, 1989 .

Ab initio studies of the C3H4 surface. II: MCSCF and CI study of structures of vinylmethylene and ring opening of cyclopropene

M. Yoshimine, J. Pacansky, N. Honjou, 1989 .

Computation of molecular properties and structure

A. D. McLean, M. Yoshimine, M. Yoshimine, 1968 .

Electron correlation and basis set effects on the relative stabilities of classical and nonclassical structures of the 2-norbornyl cation

A. D. McLean, M. Yoshimine, J. Binkley, 1983 .

A theoretical study of the rotation-vibration energy levels and dipole moment functions of CCN+, CNC+, and C3

M. Yoshimine, P. Bunker, W. Kraemer, 1984 .

Theoretical microwave spectroscopic constants for CCN+ and CNC+

M. Yoshimine, W. Kraemer, 1982 .

A CI study of the classical and nonclassical structures of the vinyl cation and their optimum path for rearrangement

A. D. McLean, M. Yoshimine, J. Weber, 1976 .

Oscillator Strengths for the XI J-A 1Fj System of CH+

M. Yoshimine, P. Thaddeus, S. Green, 1973 .

The second 3Σ−u state of O2

M. Yoshimine, H. Tatewaki, Kiyoshi Tanaka, 1976 .

Atomic Negative Ions. Second Period

A. D. McLean, E. Clementi, M. Yoshimine, 1964 .

The binding energy of the ground state of Be2

A. D. McLean, M. Yoshimine, Bowen Liu, 1983 .

Accurate Potential Curves and Properties for the X2π and A2Σ+ States of LiO

M. Yoshimine, Megumu Yoshimine, 1972 .

Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential

E. Clementi, E. Clementi, M. Yoshimine, 1976 .

Ab initio study of the X2Π and A2Σ+ states of OH. I. Potential curves and properties

M. Yoshimine, S. Chu, Bowen Liu, 1974 .

Ab initio study of the lower few states of FeH: Application of the multireference coupled pair approximation

M. Yoshimine, Kiyoshi Tanaka, M. Sekiya, 2001 .

Theoretical studies on the structure of isobutane and the tertiary‐butyl radical

M. Yoshimine, M. Yoshimine, J. Pacansky, 1981 .

Electronic Band Structure of Group IV Elements and of III-V Compounds

M. Yoshimine, F. Bassani, M. Yoshimine, 1963 .

Theoretical studies on the ground state and low-lying doublet excited states of the propargyl radical

M. Yoshimine, J. Pacansky, H. Honjou, 1987 .

Atomic Dipole Polarizabilities from the Uncoupled Hartree-Fock Approximation

M. Yoshimine, R. P. Hurst, 1964 .

Mapping an Arbitrary Range into (-1, 1) with a Side Condition: Application to Numerical Quadratures

A. D. McLean, M. Yoshimine, M. Yoshimine, 1965, IBM J. Res. Dev..

Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation

M. Yoshimine, 1964 .

A theoretical study of the lowest singlet and triplet surfaces of C2H2S

M. Yoshimine, P. Siegbahn, J. Pacansky, 1983 .

The Application of Ab Initio Quantum Chemistry to Problems of Current Interest Raised by Experimentalists

A. D. McLean, M. Yoshimine, P. Bagus, 1980 .