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Scitation Search Results |
You were searching for : (31.15.ne)  
You found 1561 out of 1941613 (500 returned)
Documents 1 - 10 listed on this page
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Theoretical investigation of excited states of C3
 A. Terentyev, R. Scholz, M. Schreiber, and G. Seifert
J. Chem. Phys. 121, 5767 (2004) Full Text: [ Full Text PDF (182 kB) ] Order Document
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2. |
The transition-state region of the O(3P) + O2(3  ) potential energy surface
Reinhard Schinke and Paul Fleurat-Lessard
J. Chem. Phys. 121, 5789 (2004) Full Text: [ Full Text PDF (81 kB) ] Order Document
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3. |
Erratum: "Polarization consistent basis sets: Principles" [J. Chem. Phys. 115, 9113 (2001)]
Frank Jensen
J. Chem. Phys. 116, 3502 (2002)  Full Text: [ Full Text PDF (15 kB) ]
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Erratum: Spin-unrestricted time-dependent Hartree–Fock theory of frequency-dependent linear and nonlinear optical properties [J. Chem. Phys. 104, 6590 (1996)]
Shashi P. Karna
J. Chem. Phys. 105, 6091 (1996) Full Text: [ PDF (30 kB) ]
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The local ansatz extended
Gernot Stollhoff
J. Chem. Phys. 105, 227 (1996) Full Text: [ PDF (162 kB) ] Order Document
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6. |
Convergence study of multi-configuration time-dependent Hartree simulations: H2 scattering from LiF(001)
A. Capellini and A. P. J. Jansen
J. Chem. Phys. 104, 3366 (1996) Full Text: [ PDF (163 kB) ] Order Document
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7. |
Accurate prediction of heat of formation by combining Hartree–Fock/density functional theory calculation with linear regression correction approach
Xue-Mei Duan, Guo-Liang Song, Zhen-Hua Li, Xiu-Jun Wang, Guan-Hua Chen, and Kang-Nian Fan
J. Chem. Phys. 121, 7086 (2004) Full Text: [ Full Text PDF (125 kB) ] Order Document
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8. |
Insights into dynamics of the S2 state of thiophosgene from ab initio calculations
Feng Zhang, Ling Lin, and Wei-Hai Fang
J. Chem. Phys. 121, 6830 (2004) Full Text: [ Full Text PDF (126 kB) ] Order Document
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9. |
Modeling vibrational spectra using the self-consistent charge density-functional tight-binding method. I. Raman spectra
Henryk A. Witek, Keiji Morokuma, and Anna Stradomska
J. Chem. Phys. 121, 5171 (2004) Full Text: [ Full Text PDF (127 kB) ] Order Document
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10. |
Topology of electron–electron interactions in atoms and molecules. I. The Hartree–Fock approximation
Jerzy Cioslowski and Guanghua Liu
J. Chem. Phys. 105, 8187 (1996) Full Text: [ PDF (322 kB) ] Order Document
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