Bowen Liu

发表

The reduced multiplication scheme of the Rys quadrature and new recurrence relations for auxiliary function based two‐electron integral evaluation

Roland Lindh, R. Lindh, U. Ryu, 1991 .

Ab initio calculations for the X 2Σ, A 2Π, and B 2Σ states of NaAr: Emission spectra and cross sections for fine‐structure transitions in Na–Ar collisions

R. Olson, Bowen Liu, R. Saxon, 1977 .

Valence excited states of CH. II. Properties

Bowen Liu, G. Lie, J. Hinze, 1973 .

Electron correlation and the reality of xenon difluoride

H. Schaefer, P. Bagus, Bowen Liu, 1975 .

Accurate ab initio calculations of the quadrupole moment of acetylene. A combined study of basis set, correlation, and vibrational effects

R. Lindh, Bowen Liu, 1991 .

Ab initio calculations of the 3Σg+ and 3Σu+ states of singly excited Ar2

Bowen Liu, R. Saxon, 1976 .

Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

A. D. McLean, Bowen Liu, G. Chandler, 1984 .

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 .

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

M. Yoshimine, Bowen Liu, 1981 .

The ~X1A1 and ~a3B2 states of o-benzyne: a theoretical characterization of equilibrium geometries, harmonic vibrational frequencies, and the singlet-triplet energy gap

H. Schaefer, A. Scheiner, Bowen Liu, 1989 .

Theoretical study of C2 and C2

M. Dupuis, Bowen Liu, 1980 .

AB Initio Computation of Molecular Structures Through Configuration Interaction

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

Ab initio potential curve for the b 3Σ− state of CH+

Bowen Liu, R. Saxon, 1983 .

Theoretical study of molecular dipole moment functions. II. The d 3Δ and a′ 3Σ+ states of CO

Bowen Liu, K. Kirby, 1978 .

Theoretical dipole moment derivatives and force constants for HCN

D. Chipman, C. North, Bowen Liu, 1978 .

Abinitio configuration interaction study of the valence states of O2

Bowen Liu, R. Saxon, 1977 .

Theoretical dipole moment function of the X1Σ+ state of HI

H. Schaefer, Bowen Liu, S. Ungemach, 1977 .

Structure and energetics of Cr(CO)6 and Cr(CO)5

R. Lindh, Bowen Liu, L. Barnes, 1993 .

The H3 potential surface revisited

M. Blomberg, Bowen Liu, 1985 .

Classical barrier height for H+H2→H2+H

Bowen Liu, 1984 .

The valence states of C2: A configuration interaction study

Bowen Liu, K. Kirby, 1979 .

Rhodium-Catalyzed Cross-Coupling Reactions of Carboxylate and Organoboron Compounds via Chelation-Assisted C–C Bond Activation

Bowen Liu, Jingjing Wang, Jianhui Wang, 2012 .

Photodissociation cross sections and rates for CH/+/ in interstellar clouds

Bowen Liu, R. Saxon, K. Kirby, 1980 .

Ab-Initio Studies of the Molecular Symmetry Breaking Problem: Low Lying States of CO2 and NO2

Bowen Liu, L. Engelbrecht, 1983 .

Hartree–Fock electron affinity of the CN radical

Bowen Liu, J. Pacansky, 1977 .

Krypton Monofluoride and Its Positive Ion

H. Schaefer, Bowen Liu, 1971 .

Critical test of equation‐of‐motion–Green’s function methods. II. Comparison with configuration interaction results

K. Freed, Michael F. Herman, D. Yeager, 1980 .

Accurate Compton profiles for H2 and D2 including the effects of electron correlation and molecular vibration and rotation

V. H. Smith, W. H. Henneker, A. Thakkar, 1977 .

Theoretical study of the ground-state geometry and excited-state spectrum of pernitric acid (HO2NO2)

Bowen Liu, R. Saxon, 1985 .

Study of the Contact-Term Contribution to the Hyperfine Structure Obtained from Spin-Unrestricted Hartree-Fock Wave Functions

H. Schaefer, P. Bagus, Bowen Liu, 1970 .

Interaction energies for low‐lying electronic states of NaH and NaH−: Scattering of H− by alkali atoms

Bowen Liu, R. Olson, 1980 .

Theoretical study of NH2: Potential curves, transition moments, and photodissociation cross sections

Bowen Liu, R. Saxon, B. Lengsfield, 1983 .

Dipole moment and potential energy functions of the X 1Σ+ and A 1Σ+ states of NaH

W. T. Zemke, Bowen Liu, R. Olson, 1984 .

Ab initio configuration interaction study of the low‐lying electronic states of MgH

Bowen Liu, R. Saxon, K. Kirby, 1978 .

Comment on the dissociation energy of NaH+(X 2Σ+)

Bowen Liu, R. Saxon, R. Olson, 1981 .

Double‐Perturbation Treatment of the Ground State of the Hydrogen Molecule

W. Brown, Bowen Liu, W. D. Lyon, 1966 .

Valence Excited States of CH. 111. Radiative Lifetimes

Bowen Liu, G. Lie, J. Hinze, 1975 .

Theoretical study of the anion of lithium hydride

Bowen Liu, K. Kirby-Docken, Kiyosi O-ohata, 1977 .

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 .

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

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

A theoretical investigation of the UV spectrum of ethyl radical

M. Blomberg, Bowen Liu, 1985 .

A six-coordinated cationic ruthenium carbyne complex with liable pyridine ligands: synthesis, structure, catalytic investigation, and DFT study on initiation mechanism

Bowen Liu, Jianhui Wang, Guiyan Liu, 2014 .

VALENCE EXCITED STATES OF CH

Bowen Liu, G. Lie, J. Hinze, 1973 .

Further theoretical examination of the F + H2 entrance channel barrier

H. Schaefer, M. Frisch, W. Miller, 1985 .

On the dissociation energy of Mg2

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

Probable nonexistence of xenon monofluoride as a chemically bound species in the gas phase

H. Schaefer, P. Bagus, Bowen Liu, 1973 .

DFT Studies on the Mechanisms of the Platinum-Catalyzed Diboration of Acyclic α,β-Unsaturated Carbonyl Compounds

Li Dang, Bowen Liu, Zhenyang Lin, 2012 .

Cu-Catalyzed cis-selective ring-opening cross-coupling of an oxabicyclic olefin with an organoboron reagent.

Jinbo Zhao, Bowen Liu, Chunhui Liu, 2021, Organic & biomolecular chemistry.

A second order MCSCF method for large CI expansions

Bowen Liu, Byron H. Lengsfield, Bowen Liu, 1981 .

The structure of cis-butadiene

Timothy J. Lee, J. Rice, Bowen Liu, 1989 .

Self-consistent-field potential energies for the ground negative-ion and neutral states of HeH, ArH, and ArCl

Bowen Liu, R. Olson, B. Liu, 1978 .

Excited states of CH+: Potential curves and transition moments

Bowen Liu, R. Saxon, K. Kirby, 1980 .

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 .

Comment on ’’Theoretical studies of molecular ions. Ionization potential of CN− and BO−’’

Bowen Liu, 1977 .

The dissociation energy of MgO

Charles W. Bauschlicher, C. Bauschlicher, Bowen Liu, 1982 .

FORMALDEHYDE: AB INITIO MCSCF + CI TRANSITION STATE FOR FORMALDEHYDE → CARBON MONOXIDE + DIATOMIC HYDROGEN ON THE S0 SURFACE

W. A. Lester, M. Dupuis, Bowen Liu, 1984 .

Accurate calculation of the attractive interaction of two ground state helium atoms

A. D. McLean, Bowen Liu, 1973 .

Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction

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

Theoretical Support for the Assignment of X-ogen to the HCO+ Molecular Ion

P. K. Pearson, H. Schaefer, Bowen Liu, 1973 .

Valence excited states of CH. I. Potential curves

Bowen Liu, G. Lie, J. Hinze, 1973 .

Theoretical investigation of a mechanism for ion production in collisions of metastable He with He: Ab initio potential curves for /sup 1/. sigma. /sub g/ /sup +/ states of He/sub 2/. [100 to 200 eV, autoionization, angular distribution]

Bowen Liu, R. Saxon, K. T. Gillen, 1977 .

The binding energy of the ground state of Be2

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

Abinitio potential curve for Be2(1Σg+) from the interacting correlated fragments method

A. D. McLean, Bowen Liu, Bowen Liu, 1980 .

The interacting correlated fragments model for weak interactions, basis set superposition error, and the helium dimer potential

A. D. McLean, Bowen Liu, Bowen Liu, 1989 .

Theoretical study of molecular dipole moment functions. I. The X 1Σ+ state of CO

Bowen Liu, K. Kirby-Docken, 1977 .

Abinitio investigation of the 3Π states of NO

Bowen Liu, H. Helm, R. Saxon, 1984 .

Ab initio dipole moment functions for the X 2Σ+ and B 2Σ+ states of AlO

Bowen Liu, B. Lengsfield, 1982 .

Definitive characterization of the C3H7+ potential energy surface

P. Schleyer, W. Koch, Bowen Liu, 1989 .

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

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

Theoretical investigations of small multiply charged cations. III. NeN2

Wolfram Koch, Gernot Frenking, G. Frenking, 1986 .

Abinitio configuration interaction study of the Rydberg states of O2. I. A general computational procedure for diabatic molecular Rydberg states and test calculations on the 3Πg states of O2

Bowen Liu, R. Saxon, 1980 .

Abinitio configuration interaction study of the Rydberg states of O2. II. Calculations on the 3Σg−, 3Σu−, 3Πg, 1Πg, and 1Σg+ symmetries

Bowen Liu, R. Saxon, 1980 .

Calculated a4Σ−, A2Δ, B2Σ− States of CH

Bowen Liu, G. Lie, J. Hinze, 1972 .

The prop-2-yl cation is chiral

P. Schleyer, W. Koch, Bowen Liu, 1989 .

Oscillator Strengths and Photodissociation Cross Sections in the X-->A and X-->B' Band Systems in MgH

Bowen Liu, R. Saxon, K. Kirby, 1979 .

An ab initio study of core–valence correlation

Bowen Liu, S. Walch, C. W. Bauschlicher, 1983 .

Abinitio assignment of the UV spectra of the ethyl, isopropyl, and t‐butyl radicals

P. Siegbahn, Bowen Liu, B. Lengsfield, 1984 .

Direct Calculation of Contributions to the Second‐Order Energy of Helium

J. Hirschfelder, Bowen Liu, W. J. Meath, 1965 .

Bond length, dipole moment, and harmonic frequency of CO

R. Lindh, Bowen Liu, L. Barnes, 1993 .

Computed self‐consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B2, C2, N2, O2, F2, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions

A. D. McLean, Bowen Liu, G. Chandler, 1992 .

Study of the structure of perfluoro ethers : structural models for poly(perfluoroformaldehyde), poly(perfluoroethylene oxide), and poly(perfluoropropylene oxide)

A. Scheiner, Bowen Liu, J. Pacansky, 1991 .

Ab initio potential energy surface for linear H3

Bowen Liu, Bowen Liu, 1973 .

An orthogonal orbital MCSCF plus CI treatment of molecular symmetry breaking. I. The lowest 3B2 and 3A2 states of CO2

Bowen Liu, L. Engelbrecht, 1983 .

Self-consistent-field wave functions of P2 and PO, and the role of d functions in chemical bonding and of s-p hybridization in N2 and P2

R. S. Mulliken, Bowen Liu, 1971 .

Abinitio calculations on the 3Σg−, 1Σg+, 3Πg, and 1Πg symmetries of S2: Valence, ion pair, and Rydberg states

Bowen Liu, R. Saxon, 1980 .

A systematic approach to transition moment calculations

M. Blomberg, Bowen Liu, 1988 .