-
1
-
-
24644486532
-
Current status of platinum-based antitumor drugs
-
Wong E., and Giandomenico C.M. Current status of platinum-based antitumor drugs. Chem. Rev. 99 (1999) 2451
-
(1999)
Chem. Rev.
, vol.99
, pp. 2451
-
-
Wong, E.1
Giandomenico, C.M.2
-
2
-
-
0031021669
-
Radiotherapy with concomitant continuous cisplatin infusion for unresectable tumors of the upper aerodigestive tract: results of a phase I study
-
Bachaud J.M., Chatelut E., Canal P., Albin N., Yardeni E., David J.M., Serrano E., and Daly-Schveitzer N. Radiotherapy with concomitant continuous cisplatin infusion for unresectable tumors of the upper aerodigestive tract: results of a phase I study. Am. J. Clin. Oncol. 20 (1997) 1
-
(1997)
Am. J. Clin. Oncol.
, vol.20
, pp. 1
-
-
Bachaud, J.M.1
Chatelut, E.2
Canal, P.3
Albin, N.4
Yardeni, E.5
David, J.M.6
Serrano, E.7
Daly-Schveitzer, N.8
-
3
-
-
0031829250
-
A prospective phase II trial of concomitant chemotherapy and radiotherapy with delayed accelerated fractionation in unresectable tumors of the head and neck
-
Harrison L.B., Raben A., Pfister D.G., Zelefsky M., Strong E., Shah J.P., Spiro R.H., Shaha A., Kraus D.H., Schantz S.P., Carper E., Bodansky B., White C., and Bosl G. A prospective phase II trial of concomitant chemotherapy and radiotherapy with delayed accelerated fractionation in unresectable tumors of the head and neck. Head Neck 20 (1998) 497
-
(1998)
Head Neck
, vol.20
, pp. 497
-
-
Harrison, L.B.1
Raben, A.2
Pfister, D.G.3
Zelefsky, M.4
Strong, E.5
Shah, J.P.6
Spiro, R.H.7
Shaha, A.8
Kraus, D.H.9
Schantz, S.P.10
Carper, E.11
Bodansky, B.12
White, C.13
Bosl, G.14
-
4
-
-
0029066978
-
A new approach in the treatment of stage IV neuroblastoma using a combination of [131I]meta-iodobenzylguanidine (MIBG) and cisplatin
-
Mastrangelo R., Tornesello A., Riccardi R., Lasorella A., Mastrangelo S., Mancini A., Rufini V., and Troncone L. A new approach in the treatment of stage IV neuroblastoma using a combination of [131I]meta-iodobenzylguanidine (MIBG) and cisplatin. Eur., J. Cancer. 31A (1995) 606
-
(1995)
Eur., J. Cancer.
, vol.31 A
, pp. 606
-
-
Mastrangelo, R.1
Tornesello, A.2
Riccardi, R.3
Lasorella, A.4
Mastrangelo, S.5
Mancini, A.6
Rufini, V.7
Troncone, L.8
-
5
-
-
0034862532
-
A phase I trial of the oral platinum analogue JM216 with concomitant radiotherapy in advanced malignancies of the chest. Invest New Drugs
-
George C.M., Haraf D.J., Mauer A.M., Krauss S.A., Hoffman P.C., Rudin C.M., Szeto L., and Vokes E.E. A phase I trial of the oral platinum analogue JM216 with concomitant radiotherapy in advanced malignancies of the chest. Invest New Drugs. Invest New Drugs. 19 (2001) 303
-
(2001)
Invest New Drugs.
, vol.19
, pp. 303
-
-
George, C.M.1
Haraf, D.J.2
Mauer, A.M.3
Krauss, S.A.4
Hoffman, P.C.5
Rudin, C.M.6
Szeto, L.7
Vokes, E.E.8
-
6
-
-
0031985484
-
Efficacy of radiochemotherapy with platin derivatives compared to radiotherapy alone in organ-sparing treatment of bladder cancer
-
Sauer R., Birkenhake S., Kuhn R., Wittekind C., Schrott K.M., and Martus P. Efficacy of radiochemotherapy with platin derivatives compared to radiotherapy alone in organ-sparing treatment of bladder cancer. Int. J. Radiat. Oncol. Biol. Phys. 40 (1998) 121
-
(1998)
Int. J. Radiat. Oncol. Biol. Phys.
, vol.40
, pp. 121
-
-
Sauer, R.1
Birkenhake, S.2
Kuhn, R.3
Wittekind, C.4
Schrott, K.M.5
Martus, P.6
-
7
-
-
0001800874
-
Long-term survival results for patients with locally advanced, initially unresectable non-small cell lung cancer treated with aggressive concurrent chemoradiation
-
Langer C.J., Curran W.J., Keller S.M., Catalano R.B., Litwin S., Blankstein K.B., Haas N., Campli S.N., and Comis R.L. Long-term survival results for patients with locally advanced, initially unresectable non-small cell lung cancer treated with aggressive concurrent chemoradiation. Cancer J. Sci. Am. 2 (1996) 99
-
(1996)
Cancer J. Sci. Am.
, vol.2
, pp. 99
-
-
Langer, C.J.1
Curran, W.J.2
Keller, S.M.3
Catalano, R.B.4
Litwin, S.5
Blankstein, K.B.6
Haas, N.7
Campli, S.N.8
Comis, R.L.9
-
8
-
-
0025110301
-
Radiation and chemotherapy sensitizers and protectors
-
Coleman C.N., and Turrisi A.T. Radiation and chemotherapy sensitizers and protectors. Crit. Rev. Oncol. Hematol. 10 (1990) 225
-
(1990)
Crit. Rev. Oncol. Hematol.
, vol.10
, pp. 225
-
-
Coleman, C.N.1
Turrisi, A.T.2
-
9
-
-
4244181626
-
Metal complexes as photo- and radiosensitizers
-
Ali H., and van Lier J.E. Metal complexes as photo- and radiosensitizers. Chem. Rev. 99 (1999) 2379
-
(1999)
Chem. Rev.
, vol.99
, pp. 2379
-
-
Ali, H.1
van Lier, J.E.2
-
10
-
-
0031956321
-
In vitro demonstration of synergy between radionuclide and chemotherapy
-
Chenoufi N., Raoul J.L., Lescoat G., Brissot P., and Bourguet P. In vitro demonstration of synergy between radionuclide and chemotherapy. J. Nucl. Med. 39 (1998) 900
-
(1998)
J. Nucl. Med.
, vol.39
, pp. 900
-
-
Chenoufi, N.1
Raoul, J.L.2
Lescoat, G.3
Brissot, P.4
Bourguet, P.5
-
11
-
-
0028126915
-
Radiotoxicity of platinum-195m-labeled trans-platinum (II) in mammalian cells
-
Howell R.W., Kassis A.I., Adelstein S.J., Rao D.V., Wright H.A., Hamm R.N., Turner J.E., and Sastry K.S. Radiotoxicity of platinum-195m-labeled trans-platinum (II) in mammalian cells. Radiat. Res. 140 (1994) 55
-
(1994)
Radiat. Res.
, vol.140
, pp. 55
-
-
Howell, R.W.1
Kassis, A.I.2
Adelstein, S.J.3
Rao, D.V.4
Wright, H.A.5
Hamm, R.N.6
Turner, J.E.7
Sastry, K.S.8
-
12
-
-
0033029632
-
Cisplatin-modification of DNA repair and ionizing radiation lethality in yeast, Saccharomyces cerevisiae
-
Dolling J.A., Boreham D.R., Brown D.L., Raaphorst G.P., and Mitchel R.E. Cisplatin-modification of DNA repair and ionizing radiation lethality in yeast, Saccharomyces cerevisiae. Mutat. Res. 433 (1999) 127
-
(1999)
Mutat. Res.
, vol.433
, pp. 127
-
-
Dolling, J.A.1
Boreham, D.R.2
Brown, D.L.3
Raaphorst, G.P.4
Mitchel, R.E.5
-
13
-
-
0032951230
-
Synergism between cisplatin and radiotherapy in an in vitro prostate tumor cell line
-
Geldof A.A., Kruit A., Newling D.W., and Slotman B.J. Synergism between cisplatin and radiotherapy in an in vitro prostate tumor cell line. Anticancer Res. 19 (1999) 505
-
(1999)
Anticancer Res.
, vol.19
, pp. 505
-
-
Geldof, A.A.1
Kruit, A.2
Newling, D.W.3
Slotman, B.J.4
-
14
-
-
0033738419
-
Combined effects of the orally active cisplatin analog, JM216, and radiation in antitumor therapy
-
Amorino G.P., Mohr P.J., Hercules S.K., Pyo H., and Choy H. Combined effects of the orally active cisplatin analog, JM216, and radiation in antitumor therapy. Cancer Chemother. Pharmacol. 46 (2000) 423
-
(2000)
Cancer Chemother. Pharmacol.
, vol.46
, pp. 423
-
-
Amorino, G.P.1
Mohr, P.J.2
Hercules, S.K.3
Pyo, H.4
Choy, H.5
-
16
-
-
0032948940
-
191Pt-cisplatin
-
191Pt-cisplatin. Acta Oncol. 38 (1999) 221
-
(1999)
Acta Oncol.
, vol.38
, pp. 221
-
-
Areberg, J.1
Bjorkman, S.2
Einarsson, L.3
Frankenberg, B.4
Lundqvist, H.5
Mattsson, S.6
Norrgren, K.7
Scheike, O.8
Wallin, R.9
-
18
-
-
0034000245
-
Noninvasive measurements for studying the tumoral pharmacokinetics of platinum anticancer drugs in solid tumors
-
Dowell J.A., Sancho A.R., Anand D., and Wolf W. Noninvasive measurements for studying the tumoral pharmacokinetics of platinum anticancer drugs in solid tumors. Adv. Drug Deliv. Rev. 41 (2000) 111
-
(2000)
Adv. Drug Deliv. Rev.
, vol.41
, pp. 111
-
-
Dowell, J.A.1
Sancho, A.R.2
Anand, D.3
Wolf, W.4
-
19
-
-
0023708241
-
An autoradiographic study of the internal localisation and retention of cisplatin, iproplatin and paraplatin
-
Ewen C., Perera A., Hendry J.H., McAuliffe C.A., Sharma H., and Fox B.W. An autoradiographic study of the internal localisation and retention of cisplatin, iproplatin and paraplatin. Cancer Chemother. Pharmacol. 22 (1988) 241
-
(1988)
Cancer Chemother. Pharmacol.
, vol.22
, pp. 241
-
-
Ewen, C.1
Perera, A.2
Hendry, J.H.3
McAuliffe, C.A.4
Sharma, H.5
Fox, B.W.6
-
20
-
-
0025820759
-
Comparative intraperitoneal pharmacokinetics of three platinum analogues
-
Lind M.J., Murphy D.J., Sharma H., Tinker N., Smith A., and McAuliffe C.A. Comparative intraperitoneal pharmacokinetics of three platinum analogues. Cancer Chemother. Pharmacol. 28 (1991) 315
-
(1991)
Cancer Chemother. Pharmacol.
, vol.28
, pp. 315
-
-
Lind, M.J.1
Murphy, D.J.2
Sharma, H.3
Tinker, N.4
Smith, A.5
McAuliffe, C.A.6
-
22
-
-
1342308089
-
Synthesis and preliminary evaluation of the new water-soluble radioactive platinum(IV) complexes
-
Garnuszek P., Maurin M., Skierski J.S., Koronkiewicz M., and Witowska-Jarosz J. Synthesis and preliminary evaluation of the new water-soluble radioactive platinum(IV) complexes. J. Inorg. Biochem. 98 (2004) 553
-
(2004)
J. Inorg. Biochem.
, vol.98
, pp. 553
-
-
Garnuszek, P.1
Maurin, M.2
Skierski, J.S.3
Koronkiewicz, M.4
Witowska-Jarosz, J.5
-
24
-
-
12344265762
-
Marked survival prolongation of mice bearing a transplantable colon adenocarcinoma by treatment with radioactive platinum-[125I]histamine complex. preliminary report
-
Garnuszek P. Marked survival prolongation of mice bearing a transplantable colon adenocarcinoma by treatment with radioactive platinum-[125I]histamine complex. preliminary report. Nucl. Med. Rev. Cent. East Eur. 7 (2004) 113
-
(2004)
Nucl. Med. Rev. Cent. East Eur.
, vol.7
, pp. 113
-
-
Garnuszek, P.1
-
26
-
-
0012725753
-
Therapeutic radiopharmaceuticals
-
Volkert W.A., and Hoffman T.J. Therapeutic radiopharmaceuticals. Chem. Rev. 99 (1999) 2269
-
(1999)
Chem. Rev.
, vol.99
, pp. 2269
-
-
Volkert, W.A.1
Hoffman, T.J.2
-
27
-
-
0001294083
-
Potential technetium small molecule radiopharmaceuticals
-
Jurisson S.S., and Lydon J.D. Potential technetium small molecule radiopharmaceuticals. Chem. Rev. 99 (1999) 2205
-
(1999)
Chem. Rev.
, vol.99
, pp. 2205
-
-
Jurisson, S.S.1
Lydon, J.D.2
-
28
-
-
0001579481
-
Radiometal-labeled agents (non-technetium) for diagnostic imaging
-
Anderson C.J., and Welch M.J. Radiometal-labeled agents (non-technetium) for diagnostic imaging. Chem. Rev. 99 (1999) 2219
-
(1999)
Chem. Rev.
, vol.99
, pp. 2219
-
-
Anderson, C.J.1
Welch, M.J.2
-
30
-
-
0001758225
-
Theoretical studies in palladium and platinum molecular chemistry
-
Dedieu A. Theoretical studies in palladium and platinum molecular chemistry. Chem. Rev. 100 (2000) 543
-
(2000)
Chem. Rev.
, vol.100
, pp. 543
-
-
Dedieu, A.1
-
31
-
-
0000547535
-
Comprehensive ab initio quantum mechanical and molecular orbital (MO) analysis of cisplatin: structure, bonding, charge density, and vibrational frequencies
-
Pavankumar P.N.V., Seetharamulu P., Yao S., Saxe J.D., Reddy D.G., and Hausheer F.H. Comprehensive ab initio quantum mechanical and molecular orbital (MO) analysis of cisplatin: structure, bonding, charge density, and vibrational frequencies. J. Comput. Chem. 20 (1999) 365
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 365
-
-
Pavankumar, P.N.V.1
Seetharamulu, P.2
Yao, S.3
Saxe, J.D.4
Reddy, D.G.5
Hausheer, F.H.6
-
32
-
-
0002817123
-
Structure and bonding in cisplatin and other Pt(II) complexes
-
Carloni P., Andreoni W., Hutter J., Curioni A., Giannozzi P., and Parrinello M. Structure and bonding in cisplatin and other Pt(II) complexes. Chem. Phys. Lett. 234 (1995) 50
-
(1995)
Chem. Phys. Lett.
, vol.234
, pp. 50
-
-
Carloni, P.1
Andreoni, W.2
Hutter, J.3
Curioni, A.4
Giannozzi, P.5
Parrinello, M.6
-
34
-
-
84962360239
-
Pentacoordinated transition states of cisplatin hydrolysis-ab initio study
-
Chval Z., and Sip M. Pentacoordinated transition states of cisplatin hydrolysis-ab initio study. J. Mol. Struct. (Theochem) 532 (2000) 59
-
(2000)
J. Mol. Struct. (Theochem)
, vol.532
, pp. 59
-
-
Chval, Z.1
Sip, M.2
-
35
-
-
1642403026
-
The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumour drugs: cisplatin and carboplatin
-
Wysokiński R., and Michalska D. The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumour drugs: cisplatin and carboplatin. J. Comput. Chem. 22 (2001) 901
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 901
-
-
Wysokiński, R.1
Michalska, D.2
-
36
-
-
1642366533
-
Molecular structure and bonding in platinum-picoline anticancer complex: density functional study
-
Michalska D., and Wysokiński R. Molecular structure and bonding in platinum-picoline anticancer complex: density functional study. Collect. Czech. Chem. Commun. 69 (2004) 63
-
(2004)
Collect. Czech. Chem. Commun.
, vol.69
, pp. 63
-
-
Michalska, D.1
Wysokiński, R.2
-
37
-
-
0037865872
-
The hydrolysis process of the cis-dichloro(ethylenediamine)platinum(II): A theoretical study
-
Costa L.A.S., Rocha W.R., De Almeida W.B., and Dos Santos H.F. The hydrolysis process of the cis-dichloro(ethylenediamine)platinum(II): A theoretical study. J. Chem. Phys. 118 (2003) 10584
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 10584
-
-
Costa, L.A.S.1
Rocha, W.R.2
De Almeida, W.B.3
Dos Santos, H.F.4
-
38
-
-
0037068057
-
o-iminobenzosemiquinonato(1-) and o-amido-phenolato(2-) complexes of palladium(II) and platinum(II): a combined experimental and density functional theoretical study
-
Sun X., Chun H., Hildnbrand K., Bothe E., Weyhermuller T., Neese F., and Wieghardt K. o-iminobenzosemiquinonato(1-) and o-amido-phenolato(2-) complexes of palladium(II) and platinum(II): a combined experimental and density functional theoretical study. Inorg. Chem. 41 (2002) 4295
-
(2002)
Inorg. Chem.
, vol.41
, pp. 4295
-
-
Sun, X.1
Chun, H.2
Hildnbrand, K.3
Bothe, E.4
Weyhermuller, T.5
Neese, F.6
Wieghardt, K.7
-
39
-
-
0035897117
-
Synthesis and structural characterization of chloro(2,2′;6′,2″-terpyridine) platinum(II) trichloro(dimethylsulfoxide)platinate(II). Density functional analysis of model molecules
-
Cini R., Donati A., and Giannettoni R. Synthesis and structural characterization of chloro(2,2′;6′,2″-terpyridine) platinum(II) trichloro(dimethylsulfoxide)platinate(II). Density functional analysis of model molecules. Inorg. Chim. Acta 315 (2001) 73
-
(2001)
Inorg. Chim. Acta
, vol.315
, pp. 73
-
-
Cini, R.1
Donati, A.2
Giannettoni, R.3
-
40
-
-
0037060691
-
Structural investigations of palladium(II) and platinum (II) complexes of salicylhydroxamic acid
-
Hall M.D., Failes T.W., Hibbs D.E., and Hambley T.W. Structural investigations of palladium(II) and platinum (II) complexes of salicylhydroxamic acid. Inorg. Chem. 41 (2002) 1223
-
(2002)
Inorg. Chem.
, vol.41
, pp. 1223
-
-
Hall, M.D.1
Failes, T.W.2
Hibbs, D.E.3
Hambley, T.W.4
-
42
-
-
0035952525
-
Platinum(IV) complexes with dipeptide. X-ray crystal structure, 195Pt NMR spectra, and their inhibitory glucose metabolism activity in Candida albicans
-
Watabe M., Kai M., Asanuma S., Yoshikane M., Horiuchi A., Ogasawara A., Watanabe T., Mikami T., and Matsumoto T. Platinum(IV) complexes with dipeptide. X-ray crystal structure, 195Pt NMR spectra, and their inhibitory glucose metabolism activity in Candida albicans. Inorg. Chem. 40 (2001) 1496
-
(2001)
Inorg. Chem.
, vol.40
, pp. 1496
-
-
Watabe, M.1
Kai, M.2
Asanuma, S.3
Yoshikane, M.4
Horiuchi, A.5
Ogasawara, A.6
Watanabe, T.7
Mikami, T.8
Matsumoto, T.9
-
43
-
-
0036013962
-
Synthesis, spectroscopy, and theoretical studies of platinum(II) phosphate complexes
-
Battle A.R., Platts J.A., Hambley T.W., and Deacon G.B. Synthesis, spectroscopy, and theoretical studies of platinum(II) phosphate complexes. J. Chem. Soc., Dalton Trans. (2002) 1898
-
(2002)
J. Chem. Soc., Dalton Trans.
, pp. 1898
-
-
Battle, A.R.1
Platts, J.A.2
Hambley, T.W.3
Deacon, G.B.4
-
44
-
-
0038013243
-
Quantum chemical studies on molecular and electronic structure of platinum and tin adducts with guanine
-
Chojnacki H., Kolodziejczyk W., and Pruchnik F. Quantum chemical studies on molecular and electronic structure of platinum and tin adducts with guanine. Int. J. Mol. Sci. 2 (2001) 148
-
(2001)
Int. J. Mol. Sci.
, vol.2
, pp. 148
-
-
Chojnacki, H.1
Kolodziejczyk, W.2
Pruchnik, F.3
-
45
-
-
0035975493
-
A systematic ab initio study of the hydratation of selected palladium square-planar complexes. A comparision with platinum analogues
-
Zeizinger M., Burda J.V., Sponer J., Kapsa V., and Leszczynski J. A systematic ab initio study of the hydratation of selected palladium square-planar complexes. A comparision with platinum analogues. J. Phys. Chem. A 105 (2001) 8086
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8086
-
-
Zeizinger, M.1
Burda, J.V.2
Sponer, J.3
Kapsa, V.4
Leszczynski, J.5
-
46
-
-
0043264773
-
Hydratation and "inverse hydratation" of platinum(II) complexes: an analysis using the density functionals PW91 and BLYP
-
Berges J., Caillet J., Langlet J., and Kozelka J. Hydratation and "inverse hydratation" of platinum(II) complexes: an analysis using the density functionals PW91 and BLYP. Chem. Phys. Lett. 344 (2001) 573
-
(2001)
Chem. Phys. Lett.
, vol.344
, pp. 573
-
-
Berges, J.1
Caillet, J.2
Langlet, J.3
Kozelka, J.4
-
47
-
-
0001990613
-
Theoretical, structural and NMR studies of fluxionality in thiolato-bridged platinum (II)-platinum (IV) dinuclear complexes
-
Duran N., Gonzales-Duarte P., Lledos A., Parella T., Sola J., Ujaque G., Clegg W., and Fraser K.A. Theoretical, structural and NMR studies of fluxionality in thiolato-bridged platinum (II)-platinum (IV) dinuclear complexes. Inorg. Chim. Acta 265 (1997) 89
-
(1997)
Inorg. Chim. Acta
, vol.265
, pp. 89
-
-
Duran, N.1
Gonzales-Duarte, P.2
Lledos, A.3
Parella, T.4
Sola, J.5
Ujaque, G.6
Clegg, W.7
Fraser, K.A.8
-
49
-
-
0037129520
-
Theoretical study of far-infrared spectra of some palladium and platinum halide complexes
-
Zhang L., Wei H., Zhang Y., Guo Z., and Zhu L. Theoretical study of far-infrared spectra of some palladium and platinum halide complexes. J. Phys. Chem. A 106 (2002) 3819
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 3819
-
-
Zhang, L.1
Wei, H.2
Zhang, Y.3
Guo, Z.4
Zhu, L.5
-
50
-
-
0001574577
-
Spectroscopy and photochemical reactivity of cyclooctadiene platinum complexes
-
Klein A., van Slageren J., and Zalis S. Spectroscopy and photochemical reactivity of cyclooctadiene platinum complexes. J. Organometall. Chem. 620 (2001) 202
-
(2001)
J. Organometall. Chem.
, vol.620
, pp. 202
-
-
Klein, A.1
van Slageren, J.2
Zalis, S.3
-
51
-
-
0141845863
-
Theoretical study for the site exchange mechanism of anionic 5-coordinate Pt(II) complexes with halide, [PtX(hfac)2]- (X = Cl, Br, I, hfac = hexafluoroacetylacetonate)
-
Okeya S., Wakamatsu K., Shibahara T., Yamakado H., and Nishimoto K. Theoretical study for the site exchange mechanism of anionic 5-coordinate Pt(II) complexes with halide, [PtX(hfac)2]- (X = Cl, Br, I, hfac = hexafluoroacetylacetonate). J. Computat. Chem. Jpn. 1 (2002) 97
-
(2002)
J. Computat. Chem. Jpn.
, vol.1
, pp. 97
-
-
Okeya, S.1
Wakamatsu, K.2
Shibahara, T.3
Yamakado, H.4
Nishimoto, K.5
-
52
-
-
2942731523
-
η-Palladium and platinum(II) complexes of a λ4-phosphinine anion: synthesis, X-ray crystal structures, and DFT calculations
-
Moores A., Mezailles N., Ricard L., Jean Y., and le Floch P. η-Palladium and platinum(II) complexes of a λ4-phosphinine anion: synthesis, X-ray crystal structures, and DFT calculations. Organometallics 23 (2004) 2870
-
(2004)
Organometallics
, vol.23
, pp. 2870
-
-
Moores, A.1
Mezailles, N.2
Ricard, L.3
Jean, Y.4
le Floch, P.5
-
53
-
-
11244326290
-
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models.
-
Adamo C., and Barone V. Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models. J. Chem. Phys. 108 (1998) 664
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 664
-
-
Adamo, C.1
Barone, V.2
-
54
-
-
1542405228
-
Tests of second-generation and third-generation density functionals for thermochemical kinetics
-
Zhao Y., Pu J., Lynch B.J., and Truhlar D.G. Tests of second-generation and third-generation density functionals for thermochemical kinetics. Phys. Chem. Chem. Phys. 6 (2004) 673
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 673
-
-
Zhao, Y.1
Pu, J.2
Lynch, B.J.3
Truhlar, D.G.4
-
55
-
-
0037121874
-
A density functional study of SN2 substitution at square-planar platinum(II) complexes
-
Cooper J., and Ziegler T. A density functional study of SN2 substitution at square-planar platinum(II) complexes. Inorg. Chem. 41 (2002) 6614
-
(2002)
Inorg. Chem.
, vol.41
, pp. 6614
-
-
Cooper, J.1
Ziegler, T.2
-
56
-
-
0035820548
-
Modelling platinum group metal complexes in aqueous solution
-
Lienke A., Klatt G., Robinson D.J., Koch K.R., and Naidoo K.J. Modelling platinum group metal complexes in aqueous solution. Inorg. Chem. 40 (2001) 2352
-
(2001)
Inorg. Chem.
, vol.40
, pp. 2352
-
-
Lienke, A.1
Klatt, G.2
Robinson, D.J.3
Koch, K.R.4
Naidoo, K.J.5
-
57
-
-
0033572469
-
Density functional calculations on small platinum clusters
-
Fortunelli A. Density functional calculations on small platinum clusters. J. Mol. Struct. (Theochem) 493 (1999) 233
-
(1999)
J. Mol. Struct. (Theochem)
, vol.493
, pp. 233
-
-
Fortunelli, A.1
-
59
-
-
1842611456
-
Validation of density functional methods for computing structures and energies of mercury(IV) complexes
-
Riedel S., Straka M., and Kaupp M. Validation of density functional methods for computing structures and energies of mercury(IV) complexes. Phys. Chem. Chem. Phys. 6 (2004) 1122
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 1122
-
-
Riedel, S.1
Straka, M.2
Kaupp, M.3
-
60
-
-
1542331447
-
The solvent effect on the aquation process of the cis-dichloro(ethylenediamine)platinum(II) using continuum solvation models
-
Costa L.A.S., Rocha W.R., De Almeida W.B., and Dos Santos H.F. The solvent effect on the aquation process of the cis-dichloro(ethylenediamine)platinum(II) using continuum solvation models. Chem. Phys. Lett. 387 (2004) 182
-
(2004)
Chem. Phys. Lett.
, vol.387
, pp. 182
-
-
Costa, L.A.S.1
Rocha, W.R.2
De Almeida, W.B.3
Dos Santos, H.F.4
-
61
-
-
0142088959
-
Theoretical study of the relative stability of isomeric forms of platinum carboxamide complexes
-
Kuznetsov M.L., Haukka M., Pombeiro A.J.L., Nazarov A.A., and Kukushkin V.Y. Theoretical study of the relative stability of isomeric forms of platinum carboxamide complexes. Inorg. Chim. Acta 350 (2003) 245
-
(2003)
Inorg. Chim. Acta
, vol.350
, pp. 245
-
-
Kuznetsov, M.L.1
Haukka, M.2
Pombeiro, A.J.L.3
Nazarov, A.A.4
Kukushkin, V.Y.5
-
62
-
-
0042380153
-
The role of the basis set: assessing density functional theory
-
Boese A., Martin J.M.L., and Handy N.C. The role of the basis set: assessing density functional theory. J. Chem. Phys. 119 (2003) 3005
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3005
-
-
Boese, A.1
Martin, J.M.L.2
Handy, N.C.3
-
67
-
-
27344448074
-
Ab Initio effective core potentials for molecular calculations. Potentials for transition metal atoms Sc to Hg
-
Hay P.J., and Wadt W.R. Ab Initio effective core potentials for molecular calculations. Potentials for transition metal atoms Sc to Hg. J. Chem. Phys. 82 (1985) 299
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299
-
-
Hay, P.J.1
Wadt, W.R.2
-
68
-
-
36549092018
-
Energy-adjusted ab initio pseudopotentials for the first row transition elements
-
Dolg M., Wedig U., Stoll H., and Preuss H. Energy-adjusted ab initio pseudopotentials for the first row transition elements. J. Chem. Phys. 86 (1987) 866
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 866
-
-
Dolg, M.1
Wedig, U.2
Stoll, H.3
Preuss, H.4
-
69
-
-
0041857031
-
Relativistic and correlation effects for element 105 (hahnium, Ha): a comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials
-
Dolg M., Stoll H., Preuss H., and Pitzer R.M. Relativistic and correlation effects for element 105 (hahnium, Ha): a comparative study of M and MO (M = Nb, Ta, Ha) using energy-adjusted ab initio pseudopotentials. J. Phys. Chem. 97 (1993) 5852
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5852
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
Pitzer, R.M.4
-
71
-
-
33746614482
-
Gaussian basis sets for use in correlated molecular calculations. I. the atoms boron through neon and hydrogen
-
Dunning T.H. Gaussian basis sets for use in correlated molecular calculations. I. the atoms boron through neon and hydrogen. J. Chem. Phys. 90 (1989) 1007
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007
-
-
Dunning, T.H.1
-
72
-
-
0141704726
-
-
Gaussian, Inc., Pittsburgh, PA
-
Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., 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 J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. gaussian 03, Revision B.04 (2003), Gaussian, Inc., Pittsburgh, PA
-
(2003)
gaussian 03, Revision B.04
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, A.5
Cheeseman, J.R.6
Montgomery Jr., 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
Adamo, C.36
Jaramillo, 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..
-
73
-
-
2842565972
-
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
-
Perdew J.P., Burke K., and Wang Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys. Rev. B 54 (1996) 16533
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
74
-
-
0003454331
-
-
Dobson J.F., Vignale G., and Das M.P. (Eds), Plenum Press
-
Burke K., Perdew J.P., and Wang Y. In: Dobson J.F., Vignale G., and Das M.P. (Eds). Electronic Density Functional Theory: Recent Progress and New Directions (1998), Plenum Press
-
(1998)
Electronic Density Functional Theory: Recent Progress and New Directions
-
-
Burke, K.1
Perdew, J.P.2
Wang, Y.3
-
75
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38 (1988) 3098
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
76
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation energy
-
Perdew J.P., and Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. B 45 (1992) 13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
77
-
-
0000216001
-
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
-
Vosko S.H., Wilk L., and Nusair M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can. J. Phys. 58 (1980) 1200
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
78
-
-
5944261746
-
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
-
Perdew J.P. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 33 (1986) 8822
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
79
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98 (1993) 5648
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
80
-
-
33751157732
-
Ab initio calculation of vibrational circular dichroism spectra using density functional force fields
-
Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. Ab initio calculation of vibrational circular dichroism spectra using density functional force fields. J. Phys. Chem. 98 (1994) 11623
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
81
-
-
0001652762
-
Development and assessment of new exchange-correlation functionals
-
Hamprecht F.A., Cohen A.J., Tozer D.J., and Handy N.C. Development and assessment of new exchange-correlation functionals. J. Chem. Phys. 109 (1998) 6264
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
82
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee C., Yang W., and Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37 (1988) 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
83
-
-
33947543840
-
Density Functional Theory
-
Wiley
-
Young D.C. Density Functional Theory. Computational Chemistry (2001), Wiley 42-48
-
(2001)
Computational Chemistry
, pp. 42-48
-
-
Young, D.C.1
-
84
-
-
6944251055
-
Note on an approximation treatment for many-electron systems
-
Møller C., and Plesset M.S. Note on an approximation treatment for many-electron systems. Phys. Rev. 46 (1934) 618
-
(1934)
Phys. Rev.
, vol.46
, pp. 618
-
-
Møller, C.1
Plesset, M.S.2
-
85
-
-
0000195671
-
Natural abundance nitrogen-15 NMR by enhanced heteronuclear spectroscopy
-
Bodenhausen G., and Ruben D.J. Natural abundance nitrogen-15 NMR by enhanced heteronuclear spectroscopy. Chem. Phys. Lett. 69 (1980) 185
-
(1980)
Chem. Phys. Lett.
, vol.69
, pp. 185
-
-
Bodenhausen, G.1
Ruben, D.J.2
-
87
-
-
0034311858
-
Economizing spectrometer time and broadband excitation in small-molecule heteronuclear NMR correlation spectroscopy. Broadband HMBC
-
Meissner A., and Sørensen O.W. Economizing spectrometer time and broadband excitation in small-molecule heteronuclear NMR correlation spectroscopy. Broadband HMBC. Magn. Res. Chem. 38 (2000) 981
-
(2000)
Magn. Res. Chem.
, vol.38
, pp. 981
-
-
Meissner, A.1
Sørensen, O.W.2
-
89
-
-
0002616982
-
Sensitivity enhanced detection of weak nuclei using heteronuclear multiple quantum coherence
-
Müller L. Sensitivity enhanced detection of weak nuclei using heteronuclear multiple quantum coherence. J. Am. Chem. Soc. 101 (1979) 4481
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4481
-
-
Müller, L.1
-
90
-
-
33644757144
-
Correlation of proton and nitrogen-15 chemical shifts by multiple quantum NMR
-
Bax A., Griffey R.H., and Hawkins B.L. Correlation of proton and nitrogen-15 chemical shifts by multiple quantum NMR. J. Magn. Reson. 55 (1983) 301
-
(1983)
J. Magn. Reson.
, vol.55
, pp. 301
-
-
Bax, A.1
Griffey, R.H.2
Hawkins, B.L.3
-
91
-
-
49349137162
-
The convention for referencing platinum-195 NMR shifts and the cooperative shift effect for chloro-bromo complexes of Pt(IV) and Pt(II)
-
Kerrison S.J.S., and Sadler P.J. The convention for referencing platinum-195 NMR shifts and the cooperative shift effect for chloro-bromo complexes of Pt(IV) and Pt(II). J. Magn. Reson. 31 (1978) 321
-
(1978)
J. Magn. Reson.
, vol.31
, pp. 321
-
-
Kerrison, S.J.S.1
Sadler, P.J.2
-
92
-
-
11744305193
-
Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations
-
Wolinski K., Hinton J.F., and Pulay P. Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations. J. Am. Chem. Soc. 112 (1990) 8251
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251
-
-
Wolinski, K.1
Hinton, J.F.2
Pulay, P.3
-
93
-
-
0041765762
-
Assessment of density functional methods for nuclear magnetic resonance shielding calculations
-
Magyarfalvi G., and Pulay P. Assessment of density functional methods for nuclear magnetic resonance shielding calculations. J. Chem. Phys. 119 (2003) 1350
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 1350
-
-
Magyarfalvi, G.1
Pulay, P.2
-
94
-
-
0030121844
-
Comparison of NMR shieldings calculated from Hartee-Fock and density functional wavefunctions using gauge-including atomic orbitals
-
Rauhut G., Puyear S., Wolinski K., and Pulay P. Comparison of NMR shieldings calculated from Hartee-Fock and density functional wavefunctions using gauge-including atomic orbitals. J. Phys. Chem. 100 (1996) 6310
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6310
-
-
Rauhut, G.1
Puyear, S.2
Wolinski, K.3
Pulay, P.4
-
95
-
-
11744309658
-
The density functional calculations of nuclear shielding constants using London atomic orbitals
-
Lee A.M., Handy N.C., and Colwell S.M. The density functional calculations of nuclear shielding constants using London atomic orbitals. J. Chem. Phys. 103 (1995) 10095
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10095
-
-
Lee, A.M.1
Handy, N.C.2
Colwell, S.M.3
-
96
-
-
0000797458
-
Calculations of NMR shielding tensors using gauge-including atomic orbitals and modern density functional theory
-
Schreckenbach G., and Ziegler T. Calculations of NMR shielding tensors using gauge-including atomic orbitals and modern density functional theory. J. Phys. Chem. 99 (1995) 606
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 606
-
-
Schreckenbach, G.1
Ziegler, T.2
-
97
-
-
1242268874
-
A comparison of models for calculating nuclear magnetic resonance shielding tensors
-
Cheeesman J.R., Trucks G.W., Keith T.A., and Frisch M.J. A comparison of models for calculating nuclear magnetic resonance shielding tensors. J. Chem. Phys. 104 (1996) 5497
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5497
-
-
Cheeesman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frisch, M.J.4
-
98
-
-
33947543247
-
-
J. Autschbach, The Calculation of NMR Parameters in Transition Metal Complexes, in: N. Kaltsoyannis, J.E. McGrady (Eds.), Principles and Applications of Density Functional Theory in Inorganic Chemistry I, Series: Struct. Bond. 112 (2004) 1-48.
-
-
-
-
99
-
-
1342322999
-
Relativistic effective core potential techniques for molecules containing very heavy atoms
-
Schleyer P. (Ed), John Wiley and Sons, Chichester
-
Balasubramanian K. Relativistic effective core potential techniques for molecules containing very heavy atoms. In: Schleyer P. (Ed). Encyclopedia of Computational Chemistry (1998), John Wiley and Sons, Chichester 1835
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 1835
-
-
Balasubramanian, K.1
-
100
-
-
0012357353
-
Relativistic computation of NMR shieldings and spin-spin coupling constants
-
Grant D.M., and Harris R.K. (Eds), Wiley, New York
-
Autschbach J., and Ziegler T. Relativistic computation of NMR shieldings and spin-spin coupling constants. In: Grant D.M., and Harris R.K. (Eds). Encyclopedia of Nuclear Magnetic Resonance vol. 9 (2002), Wiley, New York 306
-
(2002)
Encyclopedia of Nuclear Magnetic Resonance
, vol.9
, pp. 306
-
-
Autschbach, J.1
Ziegler, T.2
-
103
-
-
1642459514
-
Relativistic regular two-component Hamiltonians
-
van Lenthe E., et al. Relativistic regular two-component Hamiltonians. Int. J. Quan. Chem. 57 (1996) 281
-
(1996)
Int. J. Quan. Chem.
, vol.57
, pp. 281
-
-
van Lenthe, E.1
-
104
-
-
0010163977
-
The zero-order regular approximation for relativistic effects: The effect of spin-orbit coupling in closed shell molecules
-
van Lenthe E., Snijders J.G., and Baerends E.J. The zero-order regular approximation for relativistic effects: The effect of spin-orbit coupling in closed shell molecules. J. Chem. Phys. 105 (1996) 6505
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 6505
-
-
van Lenthe, E.1
Snijders, J.G.2
Baerends, E.J.3
-
105
-
-
0000458921
-
Geometry optimization in the zero order regular approximation for relativistic effects
-
van Lenthe E., Ehlers A.E., and Baerends E.J. Geometry optimization in the zero order regular approximation for relativistic effects. J. Chem. Phys. 110 (1999) 8943
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 8943
-
-
van Lenthe, E.1
Ehlers, A.E.2
Baerends, E.J.3
-
106
-
-
33947497505
-
-
E.J. Baerends, J. Autschbach, A. Bérces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson, D.E. Ellis, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, M. Grüning, F.E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, D.A. McCormack, V.P. Osinga, S. Patchkovskii, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, and T. Ziegler, ADF 2000.02, 2002.01, 2002.02, SCM [online]. Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands. Available from http://www.scm.com.
-
-
-
-
107
-
-
0000797458
-
The calculation of NMR shielding tensors using GIAO's and modern density functional theory
-
Schreckenbach G., and Ziegler T. The calculation of NMR shielding tensors using GIAO's and modern density functional theory. J. Phys. Chem. 99 (1995) 606
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 606
-
-
Schreckenbach, G.1
Ziegler, T.2
-
108
-
-
0003152062
-
The calculation of NMR shielding tensors based on density functional theory and the frozen-core approximation
-
Schreckenbach G., and Ziegler T. The calculation of NMR shielding tensors based on density functional theory and the frozen-core approximation. Int. J. Quan. Chem. 60 (1996) 753
-
(1996)
Int. J. Quan. Chem.
, vol.60
, pp. 753
-
-
Schreckenbach, G.1
Ziegler, T.2
-
109
-
-
0001124388
-
Calculation of NMR shielding tensors based on density functional theory and a scalar relativistic Pauli-type Hamiltonian. The application to transition metal complexes
-
Schreckenbach G., and Ziegler T. Calculation of NMR shielding tensors based on density functional theory and a scalar relativistic Pauli-type Hamiltonian. The application to transition metal complexes. Int. J. Quant. Chem. 61 (1997) 899
-
(1997)
Int. J. Quant. Chem.
, vol.61
, pp. 899
-
-
Schreckenbach, G.1
Ziegler, T.2
-
110
-
-
0000002708
-
Calculation of DFT-GIAO NMR shifts with inclusion of spin-orbit coupling
-
Wolff S.K., and Ziegler T. Calculation of DFT-GIAO NMR shifts with inclusion of spin-orbit coupling. J. Chem. Phys. 109 (1998) 895
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 895
-
-
Wolff, S.K.1
Ziegler, T.2
-
111
-
-
0000204404
-
Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation for relativistic effects: ZORA NMR
-
Wolff S.K., et al. Density functional calculations of nuclear magnetic shieldings using the zeroth-order regular approximation for relativistic effects: ZORA NMR. J. Chem. Phys. 110 (1999) 7689
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7689
-
-
Wolff, S.K.1
|