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Diffusion Monte Carlo approaches for studying rotation/vibration couplings astrochemical ions
被引:0
作者
:
McCoy, Anne
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
McCoy, Anne
[
1
]
Ford, Jason
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ford, Jason
[
1
]
Lin, Zhou
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Lin, Zhou
[
1
]
Marlett, Melanie
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Marlett, Melanie
[
1
]
Petit, Andrew
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
Petit, Andrew
[
1
]
机构
:
[1]
Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
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:
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
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2015年
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:
O6 [化学];
学科分类号
:
0703 ;
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:
355
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页数:1
相关论文
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Adatom diffusion on a square lattice:: Comparison of real-space renormalization group and Monte Carlo approaches
Tarasenko, AA
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0
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0
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0
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Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
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Jastrabík, L
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Jastrabík, L
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0
引用数:
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h-index:
0
机构:
Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
Nieto, F
Uebing, C
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0
h-index:
0
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Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
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PHYSICAL REVIEW B,
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Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes
Lee, HS
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0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Lee, HS
Herbert, JM
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引用数:
0
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0
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Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Herbert, JM
McCoy, AB
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机构:
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
McCoy, AB
JOURNAL OF CHEMICAL PHYSICS,
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: 5481
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5484
[23]
Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+
Petit, Andrew S.
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0
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0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Petit, Andrew S.
Wellen, Bethany A.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Wellen, Bethany A.
McCoy, Anne B.
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h-index:
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Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
McCoy, Anne B.
JOURNAL OF CHEMICAL PHYSICS,
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Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
Casula, Michele
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h-index:
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Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Casula, Michele
Moroni, Saverio
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0
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0
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SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy
CNR IOM Democritos Natl Simulat Ctr, I-34014 Trieste, Italy
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
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Sorella, Sandro
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0
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h-index:
0
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SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy
CNR IOM Democritos Natl Simulat Ctr, I-34014 Trieste, Italy
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Sorella, Sandro
Filippi, Claudia
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Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
Li, MM
Ong, PP
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Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
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Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
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Explicitly correlated wave functions for atoms and singly charged ions from Li through Sr: Variational and Diffusion Monte Carlo results
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论文数:
0
引用数:
0
h-index:
0
机构:
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Buendia, E.
Galvez, F. J.
论文数:
0
引用数:
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h-index:
0
机构:
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Galvez, F. J.
Maldonado, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Maldonado, P.
Sarsa, A.
论文数:
0
引用数:
0
h-index:
0
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Univ Cordoba, Dept Fis, E-14071 Cordoba, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Sarsa, A.
CHEMICAL PHYSICS LETTERS,
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615
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0
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Lorenzi, Stefano
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0
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h-index:
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机构:
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
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论文数:
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h-index:
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论文数:
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h-index:
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Cammi, Antonio
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MONTE-CARLO QUASICLASSICAL TRAJECTORY STUDY OF BR + HBR AND H + HBR - EFFECT OF REACTANT VIBRATION AND ROTATION ON REACTION-RATES AND ENERGY-TRANSFER
WHITE, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
WHITE, JM
THOMPSON, DL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
THOMPSON, DL
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(02)
: 719
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732
[30]
Rotation/Torsion Coupling in H5+, D5+, H4D+, and HD4+ Using Diffusion Monte Carlo
Marlett, Melanie L.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Marlett, Melanie L.
Lin, Zhou
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Lin, Zhou
McCoy, Anne B.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
McCoy, Anne B.
JOURNAL OF PHYSICAL CHEMISTRY A,
2015,
119
(35)
: 9405
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9413
←
1
2
3
4
→
共 34 条
[21]
Adatom diffusion on a square lattice:: Comparison of real-space renormalization group and Monte Carlo approaches
Tarasenko, AA
论文数:
0
引用数:
0
h-index:
0
机构:
Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
Tarasenko, AA
Jastrabík, L
论文数:
0
引用数:
0
h-index:
0
机构:
Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
Jastrabík, L
Nieto, F
论文数:
0
引用数:
0
h-index:
0
机构:
Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
Nieto, F
Uebing, C
论文数:
0
引用数:
0
h-index:
0
机构:
Natl Acad Sci Ukraine, Inst Phys, UA-252028 Kiev, Ukraine
Uebing, C
PHYSICAL REVIEW B,
1999,
59
(12):
: 8252
-
8261
[22]
Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes
Lee, HS
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Lee, HS
Herbert, JM
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Herbert, JM
McCoy, AB
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
McCoy, AB
JOURNAL OF CHEMICAL PHYSICS,
1999,
110
(12)
: 5481
-
5484
[23]
Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+
Petit, Andrew S.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Petit, Andrew S.
Wellen, Bethany A.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Wellen, Bethany A.
McCoy, Anne B.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
McCoy, Anne B.
JOURNAL OF CHEMICAL PHYSICS,
2013,
138
(03)
[24]
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
Casula, Michele
论文数:
0
引用数:
0
h-index:
0
机构:
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Casula, Michele
Moroni, Saverio
论文数:
0
引用数:
0
h-index:
0
机构:
SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy
CNR IOM Democritos Natl Simulat Ctr, I-34014 Trieste, Italy
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Moroni, Saverio
Sorella, Sandro
论文数:
0
引用数:
0
h-index:
0
机构:
SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy
CNR IOM Democritos Natl Simulat Ctr, I-34014 Trieste, Italy
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Sorella, Sandro
Filippi, Claudia
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Twente, Fac Sci & Technol, NL-7500 AE Enschede, Netherlands
Univ Twente, MESA Res Inst, NL-7500 AE Enschede, Netherlands
Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France
Filippi, Claudia
JOURNAL OF CHEMICAL PHYSICS,
2010,
132
(15)
[25]
Transverse diffusion measurements and comparisons with Monte Carlo simulation and Gram-Charlier calculations for Cs+ ions drifting in He gas
Li, MM
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
Li, MM
Ong, PP
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
Ong, PP
Zhou, ZL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Physics, Faculty of Science, National University of Singapore, Singapore 119260, Lower Kent Ridge Road
Zhou, ZL
JOURNAL OF CHEMICAL PHYSICS,
1997,
106
(23)
: 9547
-
9550
[26]
Explicitly correlated wave functions for atoms and singly charged ions from Li through Sr: Variational and Diffusion Monte Carlo results
Buendia, E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Buendia, E.
Galvez, F. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Galvez, F. J.
Maldonado, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Maldonado, P.
Sarsa, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Cordoba, Dept Fis, E-14071 Cordoba, Spain
Univ Granada, Fac Ciencias, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain
Sarsa, A.
CHEMICAL PHYSICS LETTERS,
2014,
615
: 21
-
25
[27]
CA3D: A Monte Carlo code to simulate 3D buffered diffusion of ions in sub-membrane domains
Gil, A
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Miguel Hernandez, Inst Bioingn, Alicante 03202, Spain
Univ Miguel Hernandez, Inst Bioingn, Alicante 03202, Spain
Gil, A
Segura, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Miguel Hernandez, Inst Bioingn, Alicante 03202, Spain
Univ Miguel Hernandez, Inst Bioingn, Alicante 03202, Spain
Segura, J
COMPUTER PHYSICS COMMUNICATIONS,
2001,
136
(03)
: 269
-
293
[28]
Multiphysics analysis of the MSFR helium bubbling system: A comparison between neutron diffusion, SP3 neutron transport and Monte Carlo approaches
Cervi, Eric
论文数:
0
引用数:
0
h-index:
0
机构:
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Cervi, Eric
Lorenzi, Stefano
论文数:
0
引用数:
0
h-index:
0
机构:
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Lorenzi, Stefano
Luzzi, Lelio
论文数:
0
引用数:
0
h-index:
0
机构:
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Luzzi, Lelio
Cammi, Antonio
论文数:
0
引用数:
0
h-index:
0
机构:
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Politecn Milan, Energy Dept, Via La Masa 34, I-20156 Milan, Italy
Cammi, Antonio
ANNALS OF NUCLEAR ENERGY,
2019,
132
: 227
-
235
[29]
MONTE-CARLO QUASICLASSICAL TRAJECTORY STUDY OF BR + HBR AND H + HBR - EFFECT OF REACTANT VIBRATION AND ROTATION ON REACTION-RATES AND ENERGY-TRANSFER
WHITE, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
WHITE, JM
THOMPSON, DL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544
THOMPSON, DL
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(02)
: 719
-
732
[30]
Rotation/Torsion Coupling in H5+, D5+, H4D+, and HD4+ Using Diffusion Monte Carlo
Marlett, Melanie L.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Marlett, Melanie L.
Lin, Zhou
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Lin, Zhou
McCoy, Anne B.
论文数:
0
引用数:
0
h-index:
0
机构:
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
Ohio State Univ, Dept Chem & Biochem, Columbus, OH 43210 USA
McCoy, Anne B.
JOURNAL OF PHYSICAL CHEMISTRY A,
2015,
119
(35)
: 9405
-
9413
←
1
2
3
4
→