-
1
-
-
0003229534
-
Molecular quantum similarity in QSAR and drug design
-
Springer, Berlin
-
Carbó-Dorca R, Robert D, Amat Ll, Gironés X, Besalú E (2000) Molecular quantum similarity in QSAR and drug design. In: Lecture notes in chemistry, vol 73. Springer, Berlin
-
(2000)
Lecture Notes in Chemistry
, vol.73
-
-
Carbó-Dorca, R.1
Robert, D.2
Ll, A.3
Gironés, X.4
Besalú, E.5
-
2
-
-
23644453149
-
Molecular quantum similarity: Theory and applications
-
Wiley Hoboken (USA)
-
Bultinck P, Girones X and Carbó-Dorca R (2005). Molecular quantum similarity: theory and applications. In: Lipkowitz, KB, Larter, R, and Cundari, T (eds) Reviews in computational chemistry, vol 21, pp 127-207. Wiley, Hoboken (USA)
-
(2005)
Reviews in Computational Chemistry, Vol 21
, pp. 127-207
-
-
Bultinck, P.1
Girones, X.2
Carbó-Dorca, R.3
Lipkowitz, K.B.4
Larter, R.5
Cundari, T.6
-
5
-
-
0006300367
-
Overview of structure-activity relationships for environmental endpoints. Part 1: General outline and procedure
-
Report EU-DG-XII Project. Contract EV5V-CT92-0211. European Union, Brussels, Belgium
-
Verhaar HJM, Mulder W, Hermens JLM, Rorije E, Langenberg JH, Peijnenburg WJGM, Sabljic A, Güsten H, Eriksson L, Sjöström M, Müller M, Hansen B, Nouwen J, Karcher W (1995) Overview of structure-activity relationships for environmental endpoints. Part 1: general outline and procedure. In: QSAR for predicting fate and effects of chemicals in the environment. Report EU-DG-XII Project. Contract EV5V-CT92-0211. European Union, Brussels, Belgium
-
(1995)
QSAR for Predicting Fate and Effects of Chemicals in the Environment
-
-
Verhaar, H.J.M.1
Mulder, W.2
Hermens, J.L.M.3
Rorije, E.4
Langenberg, J.H.5
Peijnenburg, W.J.G.M.6
Sabljic, A.7
Güsten, H.8
Eriksson, L.9
Sjöström, M.10
Müller, M.11
Hansen, B.12
Nouwen, J.13
Karcher, W.14
-
7
-
-
15744375697
-
-
Gaussian, Inc, Wallingford CT
-
Gaussian 03, Revision B.05, Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C Jaramillo J Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian, Inc, Wallingford CT
-
(2004)
Gaussian 03, Revision B.05
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo Jaramillo C, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
10
-
-
34548417429
-
A quantum similarity matrix (QSM) Aufbau procedure
-
submitted
-
Carbó-Dorca R (2007) A quantum similarity matrix (QSM) Aufbau procedure. J Math Chem (submitted)
-
(2007)
J Math Chem
-
-
Carbó-Dorca, R.1
|