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publishDate:"[2000 TO 2009]"
journalStr:"The journal of physical chemistry. A"
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PubPharm (17)
1
Thermochemical kinetics for multireference systems : addition reactions of ozone
enthalten in:
The journal of physical chemistry. A
| 2009
von
Zhao, Y.
|
Tishchenko, O.
|
Gour, J.
| +4
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2
Low-frequency phonon modes and negative thermal expansion in A(MO(4))(2) (A = Zr, Hf and M = W, Mo) by Raman and Terahertz time-domain spectroscopy
enthalten in:
The journal of physical chemistry. A
| 2008
von
Liang, E.
|
Liang, Y.
|
Zhao, Y.
| +2
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3
Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functional
enthalten in:
The journal of physical chemistry. A
| 2008
von
Zhao, Y.
|
Truhlar, D.
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4
How well can new-generation density functionals describe the energetics of bond-dissociation reactions producing radicals?
enthalten in:
The journal of physical chemistry. A
| 2008
von
Zhao, Y.
|
Truhlar, D.
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5
Multicoefficient Gaussian-3 calculation of the rate constant for the OH + CH4 reaction and its 12C/13C kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment
enthalten in:
The journal of physical chemistry. A
| 2007
von
Ellingson, B.
|
Pu, J.
|
Lin, H.
| +2
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6
Formation and characterization of the tetranuclear scandium nitride : Sc4N4
enthalten in:
The journal of physical chemistry. A
| 2007
von
Gong, Y.
|
Zhao, Y.
|
Zhou, M.
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7
Thermochemical kinetics of hydrogen-atom transfers between methyl, methane, ethynyl, ethyne, and hydrogen
enthalten in:
The journal of physical chemistry. A
| 2007
von
Zheng, J.
|
Zhao, Y.
|
Truhlar, D.
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8
Density functional for spectroscopy : no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states
enthalten in:
The journal of physical chemistry. A
| 2006
von
Zhao, Y.
|
Truhlar, D.
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9
Assessment of density functionals for pi systems : Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff bases
enthalten in:
The journal of physical chemistry. A
| 2006
von
Zhao, Y.
|
Truhlar, D.
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10
Comparative DFT study of van der Waals complexes : rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers
enthalten in:
The journal of physical chemistry. A
| 2006
von
Zhao, Y.
|
Truhlar, D.
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Erscheinungsjahr: 2000-2009
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Zeitschrift: The journal of physical chemistry. A
Medienart
17
Aufsätze
13
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E-Artikel
4
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Zeitschriftentitel
The journal of physical chemistry. A
Thema
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4
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4
Research Support, U.S. Gov't, Non-P.H.S.
1
0YIW783RG1
1
3352-57-6
1
4781T907ZS
1
Benzene
1
Carbon Isotopes
1
Comparative Study
1
Formamides
1
Formates
1
Hydroxyl Radical
1
J41CSQ7QDS
1
J64922108F
1
Metals, Alkaline Earth
1
Methane
1
Noble Gases
1
OP0UW79H66
1
Zinc
1
formamide
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2000-2009
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2009
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