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Fitting Atomic Correlation Parameters for RECEP (Rapid Estimation of Correlation Energy from Partial Charges) Method to Estimate Molecular Correlation Energies within Chemical Accuracy

机译：拟合原子相关参数的RECEP（快速估算部分电荷的相关能量）方法，以估算化学精度范围内的分子相关能

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Sndor Kristyn Gbor;
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年度 2007
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1. Fitting atomic correlation parameters for RECEP (rapid estimation of correlation energy from partial charges) method to estimate molecular correlation energies within chemical accuracy [J] . Kristyan S., Csonka GI. Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2001,第2期

机译：拟合原子相关参数以进行RECEP（快速估计部分电荷的相关能量）方法，以估算化学精度范围内的分子相关能量
2. Fitting Atomic Correaltion Parameters for PECEP (Rapid Estimation of Correlation Energy from Partial Charges) Method to Estimate Molecualr Correlation Energies within Chemical Accuracy [J] . Sandor Kristyan, Gabor I.Csonka Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2001,第2期

机译：拟合PECEP（部分电荷的相关能量的快速估计）方法的原子相关参数，以估计化学精度范围内的分子相关能
3. Reproducing Gaussian-3 Total Energy Using Fitted Atomic Correlation Parameters for the Rapid Estimation of Correlation Energy from Partial Charges Method and Hartree-Fock Results [J] . Sandor Kristyan, Adrienn Ruzsinszky, Gabor I. Csonka The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第10期

机译：使用拟合的原子相关参数重现高斯3总能量，以便根据部分电荷法和Hartree-Fock结果快速估算相关能量
4. INVESTIGATION OF BRONSTED-EVANS-POLANYI TYPE CORRELATIONS FOR THE RAPID ESTIMATION OF ACTIVATION ENERGIES [C] . Jonathan E. Sutton, Dionisios G. Vlachos National Meeting Exhibition . 2012

机译：勃朗斯德evans-polanyi型相关性的激活能量快速估算
5. Transverse energy distributions in ultra relativistic light ion collisions and impact parameter correlations in nucleon-nucleon interactions. [D] . Callen, Bruce William. 1988

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7. Reproducing Gaussian-3 Total Energy Using Fitted Atomic Correlation Parameters for the Rapid Estimation of Correlation Energy from Partial Charges Method and Hartree-Fock Results [O] . Sándor Kristyán, Adrienn Ruzsinszky, Gábor I. Csonka 2001

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8. 14N NMR Studies on Cyclic Nitramines. Correlations of Chemical Shifts withNitrogen Partial Atomic Charge and Pi-Orbital Overlap [R] . Kony, M., Dagley, I. J., Leslie, D. R. 1994

机译：环状硝胺的14N NmR研究。化学位移与氮原子部分原子电荷和pi轨道重叠的相关性

Fitting Atomic Correlation Parameters for RECEP (Rapid Estimation of Correlation Energy from Partial Charges) Method to Estimate Molecular Correlation Energies within Chemical Accuracy

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