朱清时

2008

Hyperfine interaction of the Rydberg triplet states of Na2

DOI

2008

A frequency-stabilized difference frequency generation laser spectrometer for precise line profile studies in the midinfrared.

Review of Scientific Instruments

DOI

2007

Observation of local electronic structures of adatom vacancies in Si(111)-(7×7) surface in real space

DOI

2006

Defects-enhanced dissociation of H2 on boron nitride nanotubes.

Journal of Chemical Physics

DOI

2006

Single-electron tunneling spectroscopy of single C60 in double-barrier tunnel junction.

Journal of Chemical Physics

DOI

2006

Linear scaling calculation of maximally localized Wannier functions with atomic basis set.

Journal of Chemical Physics

DOI

2006

Linear-scaling density matrix perturbation treatment of electric fields in solids.

Physical Review Letters

DOI

2006

Linear scaling calculation of band edge states and doped semiconductors.

Journal of Chemical Physics

DOI

2006

Structural and electronic properties of OsB2 : A hard metallic material

DOI

2005

Spin-unrestricted linear-scaling electronic structure theory and its application to magnetic carbon-doped boron nitride nanotubes.

Journal of Chemical Physics

DOI

2005

SiH2Cl2: ab initio anharmonic force field, dipole moments, and infrared vibrational transitions.

Journal of Chemical Physics

DOI

2005

Controlling the Kondo Effect of an Adsorbed Magnetic Ion Through Its Chemical Bonding

Science

DOI

2005

Single C59N molecule as a molecular rectifier.

Physical Review Letters

DOI

2005

High-resolution ro-vibrational spectroscopy of HDO in the region of 8900–9600 cm−1

DOI

2005

Linear Scaling Calculation of Maximally-Localized Wannier Functions: Application to Piezoelectricity in ZnO Nanowires

2005

Are fluorinated boron nitride nanotubes n-type semiconductors?

DOI

2005

A first-principles study of (R)- and (S)-PPA Molecules on Cu(111).

Journal of Physical Chemistry B

DOI

2005

Piezoelectricity in ZnO nanowires: A first-principles study

DOI

2005

One-dimensional transition metal-benzene sandwich polymers: possible ideal conductors for spin transport.

Journal of the American Chemical Society

DOI

2004

能量与空间分辨的单分子显微术——透过碳笼“看”富勒烯包合物内的金属原子

《物理》

2004

Is mayenite without clathrated oxygen an inorganic electride?

Angewandte Chemie

DOI

2004

A first-principles study on quasi-1D alkali metal chains within zeolite channels.

Journal of Chemical Physics

DOI

2004

Assignment of photoelectron spectra of AunO2- (n=2,4,6) clusters.

Journal of Chemical Physics

DOI

2004

Theoretical study of nitric oxide adsorption on Au clusters.

Journal of Chemical Physics

DOI

2004

Adsorption energies of molecular oxygen on Au clusters.

Journal of Chemical Physics

DOI

2004

Hydrogen adsorption on zigzag (8,0) boron nitride nanotubes.

Journal of Chemical Physics

DOI

2004

Inorganic electrides.

Chemistry

DOI

2004

Geometrical, electronic, and magnetic properties of Na 0.5 CoO 2 from first principles

DOI

2004

Electron-phonon coupling in a boron-doped diamond superconductor

DOI

2004

Half-metallic ferromagnetism in transition-metal encapsulated boron nitride nanotubes

DOI

2004

High-resolution spectrum of the ν1 + ν4(E), ν3 + ν4(E), ν3 + ν4(A1), and ν3 + ν4(A2) bands of the PH3 molecule: assignments and preliminary analysis

DOI

2004

First-principles lattice dynamics of NaCo O 2

DOI

2004

Deformation-induced site selectivity for hydrogen adsorption on boron nitride nanotubes

DOI

2004

Detecting surface resonance states of Si ( 111 ) − 3 × 3 − Ag with a scanning tunneling microscope

DOI

2003

非晶化与量子限域效应

《物理》

2003

Unveiling metal-cage hybrid states in a single endohedral metallofullerene.

Physical Review Letters

DOI

2003

Disorder and suppression of quantum confinement effects in Pd nanoparticles.

Physical Review Letters

DOI

2003

Excited states of the 3d transition metal monoxides

DOI

2003

The absorption spectrum of H2S between 9540 and by intracavity laser absorption spectroscopy with a vertical external cavity surface emitting laser

DOI

2003

Au(111)表面自组装硫醇单分子膜的STM成像机理

《电子显微学报》

2003

First-principles simulation of scanning tunneling microscopy images of individual molecules in alkanethiol self-assembled monolayers on Au(111)

SPIE Microtechnologies

DOI

2003

A theoretical study of the NiO2 species

DOI

2003

Low-temperature orientationally ordered structures of two-dimensional C60.

Journal of the American Chemical Society

DOI

2003

First-principles study of small-radius single-walled BN nanotubes

DOI

2003

High-resolution Fourier-transform intra-cavity laser absorption spectroscopy : Application to 12C2H2 near 12300 cm-1

DOI

2003

Inorganic electride: theoretical study on structural and electronic properties.

Journal of the American Chemical Society

DOI

2003

Anab initioanharmonic force field of SiHCI3

Molecular Physics

DOI

2002

On the study of resonance interactions and splittings in the PH 3 molecule

DOI

2002

What can a scanning tunneling microscope image do for the insulating alkanethiol molecules on Au(111) substrates

DOI

2002

On the Study of Resonance Interactions and Splittings in the PH3 Molecule: ν1, ν3, ν2+ν4, and 2ν4 Bands

DOI

2002

PHYSICS AND CHEMISTRY WITH SINGLE MOLECULES: EXPERIMENT AND THEORY

DOI

2002

A new cylindrical photoacoustic cell with improved performance

DOI

2002

Hybrid density-functional study of SF5CF3

DOI

2002

Calculation of the Si-H stretching-bending overtones in SiHCl3 employing ab initio potential energy and dipole moment surfaces

DOI

2002

Absolute local mode vibrational band intensities of AsH3

DOI

2002

Cylindrical mirror multipass Lissajous system for laser photoacoustic spectroscopy

DOI

2002

A first-principles study of acetylene and its evolution products on Cu(001)

DOI

2002

High-Resolution Fourier-Transform Intracavity Laser Absorption Spectroscopy of D2O in the Region of the 4ν1+ν3 Band

Journal of Molecular Spectroscopy

DOI

2001

改进的Herriott型光学长程池

Chinese Journal of Chemical Physics

2001

An Advantaged Multiple-pass Herriott Cell

DOI

2001

Erratum: Nonclassical Behavior in the Capacitance of a Nanojunction [Phys. Rev. Lett. 86, 5321 (2001)]

DOI

2001

First-principles study of MgB2 (0001) surfaces

DOI

2001

Optimization of the Acoustic Pressure Distribution in a Resonant Photoacoustic Cell

2001

Four-dimensional dipole moment surfaces and local mode vibrational band intensities of GeH4

DOI

2001

Nonclassical Behavior in the Capacitance of a Nanojunction

DOI

2001

A FIRST-PRINCIPLES STUDY ON THE ELECTRONIC STRUCTURE OF THE FIRST TRANSITION METAL PHTHALOCYANINES

DOI

2001

First-principles investigation for M(CO)n/Ag(110) (M = Fe, Co, Ni, Cu, Zn, and Ag; n = 1, 2) systems: Geometries, STM images, and vibrational frequencies

DOI

2001

Theoretical Scanning Tunnelling Microscopy Images of Metal (Fe, Co, Ni and Cu) Phthalocyanines

DOI

2001

单分子吸附在Cu(100)表面上的振动谱及其STM图像模拟

《电子显微学报》

2001

Study of the Perpendicular Band Intensities of the CH Chromophore in CHCl3, CHBr3, and CHI3with Three-Dimensional Dipole Moment Surface from Density Functional Calculations

DOI

2001

The stretching vibrational overtone spectra of PH3: Local mode vibrational analysis, dipole moment surfaces from density functional theory and band intensities

DOI

2001

High-resolution analysis of the ν 2 +2ν 3 band of HDO

Chinese Physics

DOI

2001

High-Resolution Fourier Transform Spectrum of D2O in the Region Near 0.97 μm

Journal of Molecular Spectroscopy

DOI

2001

Overtone spectrum and the Fermi resonance of the SiH chromophore in SiHCI3

Molecular Physics

DOI

2001

High-Resolution Rotational Analysis of the Lowest D–O Overtone Bands of Deuterated Hypochlorous Acid: 2ν1 and 3ν1

Journal of Molecular Spectroscopy

DOI

2001

High-Resolution Rotational Analysis of Deuterated Hypochlorous Acid: Ground State, (100), and (020) Vibrational States

Journal of Molecular Spectroscopy

DOI

2001

High-Resolution Fourier Transform Spectrum of HDO in the Region 6140–7040 cm−1

Journal of Molecular Spectroscopy

DOI

2000

傅利叶变换光谱技术中的“折叠假线”研究

Chinese Journal of Chemical Physics

2000

单分子科学进展

《物理》

2000

Hou et al. reply:

Physical Review Letters

DOI

2000

The ab initio calculated dipole moment surface and overtone relative intensities of CH chromophore in CHCl3

DOI

2000

High-Resolution Study of the (v1 + 12v2 + v3 = 3) Polyad of Strongly Interacting Vibrational Bands of D2O

DOI

2000

Hybrid density-functional study ofSi13clusters

DOI

2000

High-Resolution Study of the First Hexad of D2O

DOI

2000

High-resolution Fourier transform spectrum of the (4000) local mode overtone of GeH 4 : local mode effect

DOI

2000

Coriolis interaction in the local mode (n100;F2) combination states of GeH4

DOI

2000

A theoretical study of the CuO3 species

DOI

2000

A highly sensitive photoacoustic spectrometer for near infrared overtone

DOI

2000

Nonlinearity of the Dipole Moment Surface and Intensities Anomaly of CHCl3

DOI

2000

A First-Principles Study on the Structural and Electronic Properties of C36Molecules

DOI

2000

High-sensitivity and high-resolution Fourier-transform intracavity laser absorption spectroscopy (FT-ICLAS)

Symposium on High-Resolution Molecular Spectroscopy

DOI

2000

An ab initio quartic force field of PH3

DOI

2000

Analysis of the HDO Absorption spectrum between 9600-10200cm -1

Chinese Physics

DOI

2000

HIGH RESOLUTION FOURIER-TRANSFORM INTRA-CAVITY LASER ABSORPTION SPECTROSCOPY: THEORY AND APPLICATION

Acta Physica Sinica

DOI

2000

High-Resolution Study of Strongly Interacting Vibrational Bands of HDO in the Region 7600–8100 cm−1

Journal of Molecular Spectroscopy

DOI

2000

Infrared intracavity laser absorption spectroscopy with a continuous-scan Fourier-transform interferometer

Applied Optics

DOI

2000

High-Resolution Fourier Transform Spectrum of the D2O Molecule in the Region of the Second Triad of Interacting Vibrational States

Journal of Molecular Spectroscopy

DOI

1999

H280Se分子的26个振动带转动结构的全拟合分析

《光谱学与光谱分析》

1999

硅烷泛频态v=6的高分辨光声光谱

Chinese Journal of Chemical Physics

1999

High resolution spectroscopic study of CH3D in the region 5900–6100 cm−1

DOI

1999

Scanning tunneling spectroscopy of individual C60 molecules adsorbed on Si(111)-7×7 surface

DOI

1999

Fourier-transform intra-cavity laser absorption spectroscopy of HOD νOD=5 overtone

DOI

1999

THEORETICAL SIMULATIONS OF STM IMAGES FOR C 60 WITH DIFFERENT ADSORBED ORIENTATIONS

1999

Molecular localized excitation by optimal fields

DOI

1999

A theoretical study of the linear OCuO species

DOI

1999

IDENTIFYING MOLECULAR ORIENTATION OF INDIVIDUAL C60 ON A SI(111)-(7 7) SURFACE

DOI

1999

High-resolution spectroscopic study of H2 80Se in the nu (stretch) = 5 and 6 local-mode pairs states

DOI

1999

C 60 不同吸附取向的STM图象的理论模拟

1999

Local mode overtone intensities of SiH4 and GeH4 from a bond dipole model with an ab initio calculated dipole moment surface

DOI

1999

Vibrational-Energy Redistribution in Single-Atom Manipulation by Scanning Tunneling Microscope

DOI

1998

CH3D分子3V2泛频态高分辨红外光谱的振动分析

《光谱学与光谱分析》

1998

C2D2和C2H2分子键-键耦合研究

《物理化学学报》

1998

多原子分子中化学键的选择断裂(英)

Chinese Journal of Chemical Physics

1998

新型高性能激光光声光谱球形光声池:理论和实验研究

Chinese Journal of Chemical Physics

1998

CH35Cl3和CH35Cl237Cl分子V=3的傅里叶变换光谱研究

《光谱学与光谱分析》

1998

单原子操纵及相关的物理和化学问题

《中国科学院院刊》，Vol. 13, No. 6

下载原文

1998

THE HIGH RESOLUTION SPECTRUM OF ASH3 (4 0 0) LOCAL MODE STATE : SYMMETRY REDUCTION AND ROTATIONAL RE-QUANTIZATION

DOI

1998

ANOMALOUS INTENSITIES OF LOCAL MODE VIBRATIONAL ABSORPTION OF GERMANE AND A NEW THEORETICAL EXPLANATION

DOI

1998

High resolution vibration–rotation spectra of the arsine local mode (110 A1/E) band

DOI

1998

High resolution spectroscopic study of arsine in the region 6000–6500 cm−1

DOI

1998

High-Resolution Spectroscopic Study of the (310) Local Mode Combination Band System of AsH3

Journal of Molecular Spectroscopy

DOI

1998

Joint Rotational Analysis of 24 Bands of the H2Se Molecule

Journal of Molecular Spectroscopy

DOI

1997

用局域模型研究分子局域模振动态的振转光谱

《物理学报》

1997

球陀螺分子局域模振动态的科里奥利系数

Chinese Journal of Chemical Physics

1997

一个高密度连续射流团簇离子束源

Chinese Journal of Chemical Physics

1997

用高灵敏度激光腔内吸收光谱方法研究分子高振动态的高分辨光谱

《中国激光》

1997

Symmetry Reduction and Rotational Re-quantization of Symmetric Top Molecules at Local Mode Limit

DOI

1997

A LOCAL MODE APPROACH TO MOLECULAR VIBRATION ROTATION SPECTROSCOPY OF LOCAL MODE VIBRATIONAL STATES

DOI

1997

High resolution spectroscopic study of H2Se (40+,0) A1 and (40-, 0) B2 stretching states: normal mode and local mode analysis

DOI

1997

High resolution photoacoustic spectrum of AsH3 () bands

DOI

1997

The parameters of the vibration–rotational hamiltonian of XY3 type molecules at the local mode limit

DOI

1997

High resolution vibration—rotation spectrum of arsine v = 2 stretching overtone

DOI

1997

MAKING LOCAL MODE VIBRATION LONG LIVED BY THE INTERACTION BETWEEN A STRONG MULTI COLOR LASER FIELD AND MOLECULES

DOI

1997

Photo-acoustic spectrometer with Ti:sapphire laser

Other Conferences

DOI

1997

The (5000) Local Mode Vibrational State of Germane: A High-Resolution Spectroscopic Study

DOI

1997

An improved dipole moment model for the intensities of the vibrational absorption of XY4 near the local mode limit

DOI

1997

锗烷(4000)、(3100)、(5000)局域模振动吸收带——强度异常和理论解释

Scientia Sinica Chimica

DOI

1997

Interpretation of the Relative Intensities of the (4000), (3100), and (5000) Local-Mode Vibrational Bands of Germane

Journal of Molecular Spectroscopy

DOI

1996

High resolution spectroscopic study of arsine: 3ν1 and 2ν1+ν3 dyad: The tendency of symmetry reduction

DOI

1996

Vibration–rotational spectroscopy of XH2 and XH3 type molecules near the local mode limit

DOI

1996

“Expanded” local mode approach for XY2 (C2v) molecules

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

1995

High-resolution spectroscopic study of 2ν1, 2ν3 and ν1+ν3 stretching states: the local-mode effects of H2Se

DOI

1995

High-resolution study of the 000–000 band of the Ã1A″–X 1A′ system of HNO in emission from the H + NO reaction

DOI

1995

Coriolis interaction parameters of the (2100; F2) bands of SiH4 and GeH4. A test of local mode models

Chemical Physics Letters

DOI

1994

A high resolution spectroscopic study of SiH4 ν = 6 and 7 overtones

DOI

1994

High resolution study of the ν1+ν2 and ν2+ν3 vibration—rotation bands of H2Se

DOI

1993

分子在高振动态上的局域模振动

Chinese Journal of Chemical Physics

1993

分子在高振动能态上的异常行为

《中国科学院院刊》，No. 1

下载原文

1993

Rotational energy transfer in the Na2 b 3Πu state: Propensity rules for rotation, spin–orbit component, and e/f‐parity changing collisions

DOI

1993

High resolution spectra of GeH4 v=6 and 7 stretch overtones. The perturbed local mode vibrational states

DOI

1993

Rotational energy transfer in the Na2 b 3Πu state: Propensity rules for transitions between hyperfine components

DOI

1993

Anharmonicity: a route to vibrational localization

DOI

1993

Local mode Coriolis quenching in tetrahedral hydrides

DOI

1992

PH3分子振动的简正模与局域模分析

Chinese Journal of Chemical Physics

1992

High-resolution spectroscopy of ν3 and ν1 + ν3 bands of SiD4

DOI

1992

Effective rotational Hamiltonian of the local mode vibrational states

DOI

1992

Collision‐induced transitions between A 1Σu+ and b 3Πu states of Na2: The ‘‘gateway’’ effect of perturbed levels

DOI

1991

Rotational analysis of the (2000) and (3000) bands and vibration—rotation interaction in germane local mode states

DOI

1991

Large amplitude bending vibration of linear triatomic molecules: an analytic solution and perturbation treatment

DOI

1991

High-resolution spectroscopic study of the (2000) stretching vibrational band and vibrational dependence of rotational constants of silane

DOI

1991

Vibration—rotation Hamiltonian of tetrahedral molecules in the local-mode model

DOI

1991

HIGH RESOLUTION SPECTROSCOPIC STUDY OF THE LOCAL MODE VIBRATIONAL STATES OF SILANE

DOI

1990

选键化学的新希望:硅烷高泛频局域模振动带的高分辨光谱研究

《原子与分子物理学报》

1990

AlH分子A’Ⅱ态的发射光谱和势能曲线

《光学学报》

1990

分子局域模振动的光谱学和动力学研究

《原子与分子物理学报》

1990

SF6分子ν5+ν6带红外高分辨光谱研究

《光谱学与光谱分析》

1990

Rotational structure near the local mode limit in the (3000) band of germane

DOI

1990

LOCAL MODE ROTATIONAL STRUCTURE IN THE (3000), (4000) AND (5000) STRETCHING OVERTONE BANDS OF SILANE: (2) ROTATIONAL ANALYSIS

1990

Red emitter resulting from O 2 (a 1 ∆ g ): a new lasing species O 4 or Cl 2 (B)?

1990

The (3000), (4000) and (5000) stretching overtone bands of silane—II. The rotational analysis in a normal-mode picture

DOI

1990

LOCAL MODE ROTATIONAL STRUCTURE IN THE (3000), (4000) AND (5000) STRETCHING OVERTONE BANDS OF SILANE: (1) EXPERIMENTS AND RESULTS

1990

The (3000), (4000) and (5000) stretching overtone bands of silane. I, The effect of local-mode vibration on rotational constants

DOI

1990

硅烷(3000);(4000)和(5000)伸缩振动泛频带-I.局域模振动对转动

1989

碘甲烷2v3泛频带的付利叶交换光谱研究

Chinese Journal of Chemical Physics

1989

Local-mode rotational structures in the (3000) and (5000) stretching overtone bands of silane

DOI

1989

Hyperfine structure of the Na2 13Δg state

DOI

1989

The hyperfine structure of the Na2 4 3Σ+ g state

DOI

1988

Local mode rotational structure in the (3000) Ge-H stretching overtone (

DOI

1987

Peak asymmetry of ac stark splitting in resonant excitation of multilevel systems due to the existence of near-degenerate states

DOI

1987

High resolution spectroscopic study of cyclopropane ν9 + ν10 combination band: the effects of l-type resonances and other perturbations

DOI

1986

CH3CN分子ν1,ν4,ν5,ν7和ν2+ν4带的高分辨付里叶变换红外光谱研究

《光谱学与光谱分析》

1986

INFRARED MULTIPHOTON DISSOCIATION DYNAMICS IN TRIFLUOROACE-TALDEHYDE

Science Bulletin

1986

分子内部的混沌世界

《科学》

1986

A complete least-squares analysis of a high-resolution laser spectroscopic study of CH3I ν5 fundamental

DOI

1985

CF3I分子ν4带高分辨激光光谱研究

《物理化学学报》

1985

CaOH自由基A-X(100)-(000)跃迁的激光激发荧光光谱研究及其转动温度测量

《光学学报》

1985

原子束的调制与质谱信号的锁相放大

《真空科学与技术学报》

1985

THE LASER-INDUCED FLUORESCENCE SPECTROSCOPY APPROACH OF ANALYZING AND IDENTIFYING OVERLAPPING AND PERTURBING BANDS——THE STUDY OF A2∏—X2∑ PERTURBING OVERTONES OF CaOH RADICAL

Science Bulletin

1985

DIODE LASER INFRARED SPECTROSCOPY OF CF3I v(4) BAND

DOI

1984

1983年原子与分子物理学及其应用讨论会简况

《物理》

1984

High resolution laser spectroscopy study of the l(2,-1) type resonance in CH 3 F ν 5 band

DOI

1983

激光光谱实验的计算机化

《光谱学与光谱分析》

1983

THE HIGH RESOLUTION SPECTROSCOPY OF CYCLOPROPANE $\nu_{9} + \nu_{10}$ COMBINATION BAND PERTURBED BY FERMI AND CORIOLIS RESONANCES

1981

LASER SPECTROSCOPY AND ROTATIONAL ANALYSIS OF THE A-X TRANSITIONS OF CaOH AND CaOD

1980

LASER SPECTROSCOPY OF THE $A^{2}\pi-X^{2}\Sigma$ TRANSITIONS OF CaOH AND CaOD