-
4
-
-
33748214591
-
-
He X, Bartlett RA, Olmstead MM, Ruhlandt-Senge K, Sturgeon BE, Power PP (1993) Angew Chem Int Ed Engl 32: 717
-
(1993)
Angew Chem Int Ed Engl
, vol.32
, pp. 717
-
-
He, X.1
Bartlett, R.A.2
Olmstead, M.M.3
Ruhlandt-Senge, K.4
Sturgeon, B.E.5
Power, P.P.6
-
6
-
-
0040051457
-
-
(b) Li X-W, Xie Y, Schreiner PR, Gripper KD, Crittendon RC, Campana CF, Robinson GH, Schaefer HF (1989) J Organomet Chem 363: 243
-
(1989)
J Organomet Chem
, vol.363
, pp. 243
-
-
Li, X.-W.1
Xie, Y.2
Schreiner, P.R.3
Gripper, K.D.4
Crittendon, R.C.5
Campana, C.F.6
Robinson, G.H.7
Schaefer, H.F.8
-
9
-
-
0032557218
-
-
Xie Y, Grev RS, Gu J, Schaefer HF, Schleyer PvR, Su J, Li X-W, Robinson GH (1998) J Am Chem Soc 120: 3773
-
(1998)
J Am Chem Soc
, vol.120
, pp. 3773
-
-
Xie, Y.1
Grev, R.S.2
Gu, J.3
Schaefer, H.F.4
Schleyer, Pv.R.5
Su, J.6
Li, X.-W.7
Robinson, G.H.8
-
22
-
-
33748225339
-
-
Savin A, Becke AD, Flad J, Nesper R, Preuss H, von Schnering HG (1991) Angew Chem Int Ed Engl 30: 409
-
(1991)
Angew Chem Int Ed Engl
, vol.30
, pp. 409
-
-
Savin, A.1
Becke, A.D.2
Flad, J.3
Nesper, R.4
Preuss, H.5
Von Schnering, H.G.6
-
27
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR. Zakrzewski VG, Montgomery Jr JA, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Camini R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (1998) Gaussian 98, Revision A.7. Gaussian, Inc., Pittsburgh PA
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Camini, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
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0039459551
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The atomic charges are determined by the difference between the nuclear charge and the expectation value of the number operator averaged over an atomic basin, the latter operation corresponding to the integration of the electron density over the basin of the atom
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The atomic charges are determined by the difference between the nuclear charge and the expectation value of the number operator averaged over an atomic basin, the latter operation corresponding to the integration of the electron density over the basin of the atom
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38
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0040644882
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Austen M, unpublished results
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Austen M, unpublished results
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