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内部出版物
CNKI学位论文(7)
知网期刊论文(2)
在“
Elsevier电子期刊
”中,
命中:
13
条,耗时:0.016986 秒
在所有数据库中总计命中:
9
条
1.
Convergence of calculated nuclear magnetic resonance chemical shifts in a protein with respect to quantum mechanical model size
作者:
Erin R. Johnson
;
Gino
A.
DiLabio
关键词:
Nuclear magnetic resonance chemical shifts
;
Quantum mechanics/molecular mechanics
;
Quantum capping potentials
;
Theoretical calculations
;
Mulliken charges
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2009
2.
Scanning tunneling microscopy and computational study of the self-directed growth of 1,3-butadiene and 2,3-dimethyl-1,3-butadiene on hydrogen-terminated silicon(1 0 0)-2 × 1
作者:
Janik Zikovsky
;
Stanislav A. Dogel
;
Shoma Sinha
;
Gino
A.
DiLabio
;
Robert A. Wolkow
关键词:
Female baboons
;
Coping mechanism
;
Social stressors
;
Fecal glucocorticoids
;
Grooming
;
Affiliation
;
Social instability
刊名:Chemical Physics Letters
出版年:2008
3.
Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers
作者:
Gino
A.
DiLabio
关键词:
Drift waves
;
Spatiotemporal chaos
;
Zonal flow
;
The frequency entrainment
刊名:Chemical Physics Letters
出版年:2008
4.
Hydrogen-bond strengths in large complexes: Efficient calculations using locally dense basis sets
作者:
Erin R. Johnson
;
Daniel J.J. McKay
;
Gino
A.
DiLabio
刊名:Chemical Physics Letters
出版年:2007
5.
A simple and accurate approach for calculating the vibration spectra of molecules on surfaces: Comparisons to high resolution electron energy loss data for ethylene on silicon
作者:
Gino
A.
DiLabio
;
Stanislav A. Dogel and Robert A. Wolkow
关键词:
Ab initio
quantum chemical methods and calculations
;
Density functional calculations
;
Electron energy loss spectroscopy (EELS)
;
Chemisorption
;
Surface waves –
;
plasmons
;
Silicon
;
Alkenes
刊名:Surface Science
出版年:2006
6.
Comment on “The enthalpy of the O–H homolytic dissociation: Basis-set extrapolated density functional theory and coupled cluster calculations” by B.J. Costa Cabral and S. Canuto &
作者:
Gino
A.
DiLabio
and Peter Mulder
刊名:Chemical Physics Letters
出版年:2006
7.
Structure and binding energies in van der Waals dimers: Comparison between density functional theory and correlated ab initio methods
作者:
Erin R. Johnson and
Gino
A.
DiLabio
刊名:Chemical Physics Letters
出版年:2006
8.
Theoretical study of the thermochemistry and kinetics of the addition of silyl radical to ethylene
作者:
Owen J. Clarkin and
Gino
A.
DiLabio
刊名:Chemical Physics Letters
出版年:2006
9.
Reply to comment on ??????Application of 25 density functionals to dispersion-bound homomolecular dimers?????? [Chem. Phys. Lett. 394 (2004) 334??????338]
作者:
Johnson
;
Erin R.
;
Wolkow
;
Robert A.
;
DiLabio
;
Gino
A.
刊名:Chemical Physics Letters
出版年:2005
10.
Application of 25 density functionals to dispersion-bound homomolecular dimers
作者:
Johnson
;
Erin R.
;
Wolkow
;
Robert A.
;
DiLabio
;
Gino
A.
刊名:Chemical Physics Letters
出版年:2004
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