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A

Albert F. Wagner

united states department of energy (doe)

46H指数
204论文数
7.4K被引数
收录论文 37
发表时间
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Ethane Molecular Energy Relaxation in High-Pressure Rare Gases乙烷分子在高压稀有气体中的能量弛豫
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-04-25
err0
PREAI
errHren, Zackary R.; Lazarock, Chad R.; Vincent, Tasha A.; Rivera-Rivera, Luis A.; Wagner, Albert F.
err分享
err收藏
Normal mode analysis on the relaxation of an excited nitromethane molecule in argon bath
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-07-16
err7
errOAAI
errRivera-Rivera, Luis A.; Wagner, Albert F.; Perry, Jamin W.
err分享
err收藏
Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, J) in an argon bath
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-15
err4
errOAAI
errChitsazi, Rezvan; Wagner, Albert F.
err分享
err收藏
SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics packageSIESTA-SIPs: 用于从头算分子动力学软件包的大规模并行光谱切片特征求解器
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-08-24
err8
PREAI
errKeceli, Murat; Corsetti, Fabiano; Campos, Carmen; Roman, Jose E.; Zhang, Hong; Vazquez-Mayagoitia, Alvaro; Zapol, Peter; Wagner, Albert F.
err分享
err收藏
Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-07-20
err41
PREAI
errFang, Zongtang; Both, Johan; Li, Shenggang; Yue, Shuwen; Apra, Edoardo; Keceli, Murat; Wagner, Albert F.; Dixon, David A.
err分享
err收藏
Shift-and-Invert Parallel Spectral Transformation Eigensolver: Massively Parallel Performance for Density-Functional Based Tight-Binding
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-11-17
err17
errOAAI
errKeceli, Murat; Zhang, Hong; Zapol, Peter; Dixon, David A.; Wagner, Albert F.
err分享
err收藏
Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-01-05
err14
errOAAI
errRivera-Rivera, Luis A.; Wagner, Albert F.; Sewell, Thomas D.; Thompson, Donald L.
err分享
err收藏
Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-08-05
err15
PREAI
errWagner, Albert F.; Dawes, Richard; Continetti, Robert E.; Guo, Hua
err分享
err收藏
A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2 (vol 139, 084319, 2013)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-10-18
err1
PREAI
errPerry, Jamin W.; Dawes, Richard; Wagner, Albert F.; Thompson, Donald L.
err分享
err收藏
A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-08-29
err10
PREAI
errPerry, Jamin W.; Dawes, Richard; Wagner, Albert F.; Thompson, Donald L.
err分享
err收藏
Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory
errCOMBUSTION AND FLAME
IF6.2
err2011-04-01
err98
PREAI
errSivaramakrishnan, R.; Michael, J. V.; Wagner, A. F.; Dawes, R.; Jasper, A. W.; Harding, L. B.; Georgievskii, Y.; Klippenstein, S. J.
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: Using classical trajectories to explore configuration space
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-04-09
err51
errOAAI
errDawes, Richard; Passalacqua, Alessio; Wagner, Albert F.; Sewell, Thomas D.; Minkoff, Michael; Thompson, Donald L.
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-02-28
err111
PREAI
errDawes, Richard; Thompson, Donald L.; Wagner, Albert F.; Minkoff, Michael
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-12-05
err41
PREAI
errGuo, Yin; Tokmakov, Igor; Thompson, Donald L.; Wagner, Albert F.; Minkoff, Michael
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: Computing high-density potential energy surface data from low-density ab initio data points
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-05-11
err112
PREAI
errDawes, Richard; Thompson, Donald L.; Guo, Yin; Wagner, Albert F.; Minkoff, Michael
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces:: An application to the H2CN unimolecular reaction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-03-12
err39
PREAI
errGuo, Yin; Harding, Lawrence B.; Wagner, Albert F.; Minkoff, Michael; Thompson, Donald L.
err分享
err收藏
Interpolating moving least-squares methods for fitting potential-energy surfaces: Further improvement of efficiency via cutoff strategies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-02-01
err28
PREAI
errKawano, A; Tokmakov, IV; Thompson, DL; Wagner, AF; Minkoff, M
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-12-01
err55
PREAI
errMaisuradze, GG; Kawano, A; Thompson, DL; Wagner, AF; Minkoff, M
err分享
err收藏
Ab initio study of AmCl+:: f-f spectroscopy and chemical binding
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-09-22
err4
PREAI
errTilson, JL; Naleway, C; Seth, M; Shepard, R; Wagner, AF; Ermler, WC
err分享
err收藏
Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-09-15
err74
PREAI
errGuo, Y; Kawano, A; Thompson, DL; Wagner, AF; Minkoff, M
err分享
err收藏

研究方向

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合作学者
合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
G
George C. Schatz
H 指数: 156 · 论文数: 1.7K
D
David A. Dixon
H 指数: 97 · 论文数: 1.4K
J
Joel M. Bowman
H 指数: 89 · 论文数: 728
S
Stephen J. Klippenstein
H 指数: 88 · 论文数: 438
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