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| 1 | Closed-Form Formulas for Kirchhoff Index显示文摘 | PALACIOS J L | 2001 | Int J Quant Chem2001，81，： | 1 |
| 2 | Properties, Dynamics, and Electronic Structure of Atoms and Molecules High-level computational study on the thennochemistry of saturated and unsaturated three-and four-memberod nitrogen and phosphorus rings 显示文摘 | Glukhovtsev M N Bach R D Laiter S | 1997 | Quant Chem1997，62，： | 1 |
| 3 | Electron Correlation Theories and Their Application to the Study of Simple Rcaction Potential Surfaces显示文摘 | Pople J A Krishnan R Schlegel H B | 1978 | Int J Quant Chem1978，14，： | 1 |
| 4 | Many-Body Perturbation Theory,Coupled-Pair Many-Electron Theory, and the Importance of Quadruple Excitations for the Correlation Problem显示文摘 | Bartlett R J Purvis G D | 1978 | Int J Quant Chem1978，14，： | 1 |
| 5 | Electron Correlation Theories and Their Application to the Study of Simple Rcaction Potential Surfaces显示文摘 | Pople J A Krishnan R Schlegel H B | 1978 | Int J Quant Chem1978，14，： | 1 |
| 6 | Many-body Perturbation Theory,Coupled-pair Many-electron Theory,and the Importance of Quadruple Excitations for the Correlation Problem显示文摘 | Bartlett R J Purvis G D | 1978 | Int J Quant Chem1978，14，： | 1 |
| 7 | Electronic structure,properties,and phase stability of inorganic crystals:a pseudopotential plane-wave study显示文摘 | Milman V Winkler B White J A | 2000 | Int J Quant Chem2000，77，5： | 1 |
| 8 | Solution of Atom and MolecularSchrodinger Equation Described Hyperspherical Coordinates 显示文摘 | DENG C ZHANG R Q FENG D C | 1993 | J Quant Chem Approach to the Description of Using Hyperspherical Coordinates1993，45，： | 1 |
| 9 | Asymptotic behavior of the primitive function of different symmetry-adapted perturbation schemes for the H^2 + ground state显示文摘 | Levin F S Kutzelnigg W | 1978 | Int J Quant Chem1978，14，7： | 1 |
| 10 | Electron correlation theories and their application to study of simple reaction potential surJhces 显示文摘 | Pople J A Krishnan R Schlegel H B | 1978 | lnt J Quant Chem1978，14，5： | 1 |
| 11 | Iodine-Benzene Charge-Transfer complex:potential energy surface and transition probabilities studied at several levels of theory显示文摘 | Zijlstra R W J Swart M | 1999 | Int J Quant Chem1999，75，： | 1 |
| 12 | Theoretical models incorporating electron vorrelation显示文摘 | POPLE J A BINKLEY J S SEEGER R | 1976 | Int J Quant Chem Syrup1976，10，： | 1 |
| 13 | Ab Initio molecular orbital and density functional study of the C6H6*I2 Complex in the ground and excited electronic states显示文摘 | Lin H L Lin S H | 1999 | Int J Quant Chem1999，72，： | 1 |
| 14 | Approximation gorth-order perturbation theory of the electron correlation energy显示文摘 | KRISHNAN R POPLE J A | 1978 | Int J Quant Chem1978，14，： | 1 |
| 15 | Theoretical study of the unimolecular decomposition mechanisms of energetic TNAD and TNAZ explosives显示文摘 | Liu M H Chen C Hong Y S | 2005 | Int J Quant Chem2005，102，： | 1 |
| 16 | Orbital interactions and charge redistribution in weak hydrogen bonds: Watson - Crick GC mimic involving C - H proton donor and F proton ac- ceptor groups 显示文摘 | Guerra C F Baerends E J Bickelhaupt F M | 2006 | Int J Quant Chem2006，106，12： | 1 |
| 17 | Int properties dynamics and electronic structure of atoms and molecules high-level computational study on the thermochemistry of saturated and unsaturated three-and four-membered nitrogen and phosphorus rings显示文摘 | Bach R D Laiter S | 1997 | J Quant Chem1997，62，： | 1 |
| 18 | 显示文摘 | DELLEY B | 1998 | Int J Quant Chem1998，69，： | 1 |
| 19 | Electron correlation theories and their application to the study of simple reaction potential surfaces显示文摘 | Pople J A Krishnan R Schlegel H B | 1978 | Int J Quant Chem1978，14，： | 1 |
| 20 | Many-body perturbation theory,coupled-pair many-electron theory,and the importance of quadruple excitations for the correlation problem显示文摘 | Bartlett R J Purvis G D | 1978 | Int J Quant Chem1978，14，： | 1 |
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