Works matching IS 00207608 AND DT 1999 AND VI 74 AND IP 3

Results: 10

Modeling vibrational spectra of amino acid side chains in proteins: Effects of chloride and bromide counterions on ethylguanidino vibrational frequencies.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 291, doi. 10.1002/(SICI)1097-461X(1999)74:3<291::AID-QUA2>3.0.CO;2-A

By:

Trindle, Carl;
Braiman, Mark;
Prager, Amy Beth

Publication type:

Article

Thermolysis mechanism of N-acetylpropanamide.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 337, doi. 10.1002/(SICI)1097-461X(1999)74:3<337::AID-QUA6>3.0.CO;2-K

By:

Zhang, Shao-Wen;
He, Fu-Chu

Publication type:

Article

Evidence for dimerization in the β2-adrenergic receptor from the evolutionary trace method.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 371, doi. 10.1002/(SICI)1097-461X(1999)74:3<371::AID-QUA10>3.0.CO;2-7

By:

Gkoutos, George V.;
Higgs, Christopher;
Bywater, Robert P.;
Gouldson, Paul R.;
Reynolds, Christopher A.

Publication type:

Article

Charge distributions and molecular electrostatic potentials around amino acids: Usefulness of hybridization displacement charge.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 271, doi. 10.1002/(SICI)1097-461X(1999)74:3<271::AID-QUA1>3.0.CO;2-F

By:

Kushwaha, P. S.;
Kumar, Anil;
Mishra, P. C.

Publication type:

Article

AM1 study of proton-transfer reactions of barbituric acid.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 327, doi. 10.1002/(SICI)1097-461X(1999)74:3<327::AID-QUA5>3.0.CO;2-O

By:

Kakkar, Rita;
Katoch, Vandana

Publication type:

Article

Transport of excitation energy in a three-dimensional doped molecular aggregate. VII. Physical chemistry of exciton processes in thylakoid membrane.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 357, doi. 10.1002/(SICI)1097-461X(1999)74:3<357::AID-QUA9>3.0.CO;2-9

By:

Datta, S. N.;
Shah, Deepak

Publication type:

Article

Theoretical studies on the possible reaction pathway for the deacylation of the AChE-catalyzed reaction.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 315, doi. 10.1002/(SICI)1097-461X(1999)74:3<315::AID-QUA4>3.0.CO;2-Y

By:

Wang, Qin Mi;
Jiang, Hua Liang;
Chen, Kai Xian;
Ji, Ru Yun;
Ye, Yuan-Jie

Publication type:

Article

Use of the HSAB principle in quantitative structure-activity relationships in toxicological research: Application to the genotoxicity of chlorinated hydrocarbons.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 351, doi. 10.1002/(SICI)1097-461X(1999)74:3<351::AID-QUA8>3.0.CO;2-U

By:

Baeten, A.;
Tafazoli, M.;
Kirsch-Volders, M.;
Geerlings, P.

Publication type:

Article

Modeling enzyme-inhibitor interactions in serine proteases.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 299, doi. 10.1002/(SICI)1097-461X(1999)74:3<299::AID-QUA3>3.0.CO;2-K

By:

Ramos, Maria João;
Melo, André;
Henriques, Elsa S.;
Gomes, José A. N. F.;
Reuter, Nathalie;
Maigret, Bernard;
Floriano, Wely B.;
Nascimento, Marco A. C.

Publication type:

Article

Biologically active fullerene derivatives: Computations of structures, energetics, and vibrations of C60(OH) x and C60(NO2) y.

Published in:

International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 343, doi. 10.1002/(SICI)1097-461X(1999)74:3<343::AID-QUA7>3.0.CO;2-S

By:

Slanina, Zdeněk;
Zhao, Xiang;
Chiang, Long Y.;
Ōsawa, Eiji

Publication type:

Article

Works matching IS 00207608 AND DT 1999 AND VI 74 AND IP 3

Modeling vibrational spectra of amino acid side chains in proteins: Effects of chloride and bromide counterions on ethylguanidino vibrational frequencies.

Thermolysis mechanism of N-acetylpropanamide.

Evidence for dimerization in the β<sub>2</sub>-adrenergic receptor from the evolutionary trace method.

Charge distributions and molecular electrostatic potentials around amino acids: Usefulness of hybridization displacement charge.

AM1 study of proton-transfer reactions of barbituric acid.

Transport of excitation energy in a three-dimensional doped molecular aggregate. VII. Physical chemistry of exciton processes in thylakoid membrane.

Theoretical studies on the possible reaction pathway for the deacylation of the AChE-catalyzed reaction.

Use of the HSAB principle in quantitative structure-activity relationships in toxicological research: Application to the genotoxicity of chlorinated hydrocarbons.

Modeling enzyme-inhibitor interactions in serine proteases.

Biologically active fullerene derivatives: Computations of structures, energetics, and vibrations of C<sub>60</sub>(OH)<sub> x</sub> and C<sub>60</sub>(NO<sub>2</sub>)<sub> y</sub>.