| Tài liệu tham khảo |
Loại |
Chi tiết |
| [1]. Pham Van Tat (2009), “Prediction of vapor – liquid equilibria of binary mixtures using quantum calculations and activity coefficients models”, Tạp chí Hóa học, tập 47 số 5 trang 547 – 551 |
Sách, tạp chí |
| Tiêu đề: |
Prediction of vapor – liquid equilibria of binary mixtures using quantum calculations and activity coefficients models”, "Tạp chí Hóa học |
| Tác giả: |
Pham Van Tat |
| Năm: |
2009 |
|
| [2]. Pham Van Tat, U.K. Deiters (2009), “Monte Carlo simulation of vapor – liquid equilibria of hydrogen using ab initio intermolecular potentials”, Tạp chí Hóa học, tập 47 số 5 trang 529 – 534 |
Sách, tạp chí |
| Tiêu đề: |
Monte Carlo simulation of vapor – liquid equilibria of hydrogen using "ab initio" intermolecular potentials”, "Tạp chí Hóa học |
| Tác giả: |
Pham Van Tat, U.K. Deiters |
| Năm: |
2009 |
|
| [3]. Pham Van Tat, U.K. Deiters (2015), “Calculation of intermolecular potentials for H 2 -H 2 and H 2 -O 2 dimers ab initio and prediction of second virial coefficients”, Chemical Physics, Volume 457, 18 August 2015, p.171-179 |
Sách, tạp chí |
| Tiêu đề: |
Calculation of intermolecular potentials for H2-H2 and H2-O2 dimers "ab initio" and prediction of second virial coefficients”, "Chemical Physics |
| Tác giả: |
Pham Van Tat, U.K. Deiters |
| Năm: |
2015 |
|
| [4]. A. Vetere (2005), “An improved method to predict second cross virial coefficients of pure compounds”, Fluid Phase Equilib., 204:15 – 20 |
Sách, tạp chí |
| Tiêu đề: |
An improved method to predict second cross virial coefficients of pure compounds”, "Fluid Phase Equilib |
| Tác giả: |
A. Vetere |
| Năm: |
2005 |
|
| [5]. A. Stone (2004), “Intermolecular Forces”, Clarendon Press, Oxford |
Sách, tạp chí |
| Tiêu đề: |
Intermolecular Forces”, "Clarendon Press |
| Tác giả: |
A. Stone |
| Năm: |
2004 |
|
| [7]. A. D. Becke. (1986), “Density functional calculations of molecular bond energies”, J. Chem. Phys., 84, 4524 |
Sách, tạp chí |
| Tiêu đề: |
Density functional calculations of molecular bond energies”, "J. Chem. Phys |
| Tác giả: |
A. D. Becke |
| Năm: |
1986 |
|
| [8]. A. E. Nasrabad, R. Laghaei, U. K. Deiters (2004), “Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation using ab initio potentials”, J. Chem. Phys. 121, 6423 |
Sách, tạp chí |
| Tiêu đề: |
Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation using "ab initio" potentials”, "J. Chem. Phys |
| Tác giả: |
A. E. Nasrabad, R. Laghaei, U. K. Deiters |
| Năm: |
2004 |
|
| [9]. A. E. Nasrabad, R. Laghaei (2006), “Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential”, J. Chem. Phys. 125, 084510 |
Sách, tạp chí |
| Tiêu đề: |
Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an "ab initio" potential”, "J. Chem. Phys |
| Tác giả: |
A. E. Nasrabad, R. Laghaei |
| Năm: |
2006 |
|
| [10]. A. I. Victorov, A. Fredenslund (1991), Fluid Phase Equilib, 66, 77 – 101 |
Sách, tạp chí |
| Tiêu đề: |
Fluid Phase Equilib |
| Tác giả: |
A. I. Victorov, A. Fredenslund |
| Năm: |
1991 |
|
| [11]. A. K. Sum and S. I. Sandler (2002), “Ab initio pair potentials and phase equilibria predictions of halogenated compounds”, Fluid Phase Equilib., 199:5 – 13 |
Sách, tạp chí |
| Tiêu đề: |
Ab initio" pair potentials and phase equilibria predictions of halogenated compounds”, "Fluid Phase Equilib |
| Tác giả: |
A. K. Sum and S. I. Sandler |
| Năm: |
2002 |
|
| [12]. A. M. Michels, W. de Graaf and C. A. ten Seldam (1960), “Virial coefficients of hydrogen and deuterium at temperatures between -175 0 C and +150 0 C conclusion from the 2 nd virial coefficients with regards to the intermolecular potential”, Physica, 26:393 |
Sách, tạp chí |
| Tiêu đề: |
Virial coefficients of hydrogen and deuterium at temperatures between -1750C and +1500C conclusion from the 2nd virial coefficients with regards to the intermolecular potential”, "Physica |
| Tác giả: |
A. M. Michels, W. de Graaf and C. A. ten Seldam |
| Năm: |
1960 |
|
| [13]. A. Z. Panagiotopoulos (1987), “Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble”, Mol. Phys., 61, 813-826 |
Sách, tạp chí |
| Tiêu đề: |
Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble”, "Mol. Phys |
| Tác giả: |
A. Z. Panagiotopoulos |
| Năm: |
1987 |
|
| [14]. A. Z. Panagiotopoulos, Computational Methodologies and Potentials for Phase Equilibria project homepage: http://kea.princeton.edu/ |
Sách, tạp chí |
| Tiêu đề: |
Computational Methodologies and Potentials for Phase Equilibria project homepage |
|
| [15]. A.J. Stone (1996), “The theory of Intermolecular Forces”, Published in the United State by Oxford University Press Inc., New York |
Sách, tạp chí |
| Tiêu đề: |
The theory of Intermolecular Forces”, "Published in the United State by Oxford University Press Inc |
| Tác giả: |
A.J. Stone |
| Năm: |
1996 |
|
| [16]. Accelrys (2007), “MS Modeling Getting Started”, Release 4.0. Accelrys Software Inc.: San Diego, CA, January |
Sách, tạp chí |
| Tiêu đề: |
MS Modeling Getting Started”," Release 4.0. Accelrys Software Inc |
| Tác giả: |
Accelrys |
| Năm: |
2007 |
|
| [17].Axel D.Becke (1988), “Density-functional exchange-energy approximation with correct asymptotic behavior”, Physical Review A 38 (6): 3098 |
Sách, tạp chí |
| Tiêu đề: |
Density-functional exchange-energy approximation with correct asymptotic behavior”," Physical Review |
| Tác giả: |
Axel D.Becke |
| Năm: |
1988 |
|
| [18]. B. Delley (1990), “An All-Electron Numerical Method for Solving the Local Density Functional for Polyatomic Molecules”, J. Chem. Phys, 92:508–517 |
Sách, tạp chí |
| Tiêu đề: |
An All-Electron Numerical Method for Solving the Local Density Functional for Polyatomic Molecules”, "J. Chem. Phys |
| Tác giả: |
B. Delley |
| Năm: |
1990 |
|
| [19]. Chin-Teng Lin, C.S. George Lee (1996), “Neural fuzzy systems: a neurofuzzy synergism to intelligent systems”, Prentice-Hall Inc |
Sách, tạp chí |
| Tiêu đề: |
Neural fuzzy systems: a neurofuzzy synergism to intelligent systems” |
| Tác giả: |
Chin-Teng Lin, C.S. George Lee |
| Năm: |
1996 |
|
| [20]. Christopher J Cramer (2004), “Essential of Computational Chemistry”, Theories and Models, 2 nd edition, John Wiley & Sons |
Sách, tạp chí |
| Tiêu đề: |
Essential of Computational Chemistry”", Theories and Models |
| Tác giả: |
Christopher J Cramer |
| Năm: |
2004 |
|
| [92]. National Institute of Standards and Technology (NIST), http://webbook.nist.gov/ |
Link |
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