Works matching IS 00207608 AND DT 1995 AND VI 56 AND IP S22

Results: 22

Investigation of the potential energy surface for the first step in the alkaline hydrolysis of methyl acetate.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 83, doi. 10.1002/qua.560560709

By:

Sherer, Edward C.;
Turner, Gordon M.;
Shields, George C.

Publication type:

Article

A computationally efficient procedure for modeling the first step in the alkaline hydrolysis of esters.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 103, doi. 10.1002/qua.560560711

By:

Turner, Gordon M.;
Sherer, Edward C.;
Shields, George C.

Publication type:

Article

What changes occur in vibrational spectra of guanine and cytosine when they form the Watson-Crick base pair? A quantum chemical.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 207, doi. 10.1002/qua.560560722

By:

Florián, Jan;
Leszczyński, Jerzy

Publication type:

Article

Theoretical predictions of the functional interactions of DNA and mutagenic aziridines.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 29, doi. 10.1002/qua.560560704

By:

Pack, George R.;
Wong, Linda;
Lamm, Gene

Publication type:

Article

Three-dimensional crystal orbital calculations on mononucleotide crystallohydrates. II. Diprotonated mononucleotides.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 145, doi. 10.1002/qua.560560715

By:

Starikov, E. B.

Publication type:

Article

Systematic ab initio.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 75, doi. 10.1002/qua.560560708

By:

Ramek, Michael;
Tomić, Sanja;
Kojić-Prodić, Biserka

Publication type:

Article

Design of new potential 5-lipoxygenase inhibitors, dual thromboxane synthase inhibitors, and thromboxane a.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 181, doi. 10.1002/qua.560560719

By:

Albuquerque, Magaly Girão;
Rodrigues, Carlos Rangel;
De Alencastro, Ricardo Bicca;
Barreiro, Eliezer J.

Publication type:

Article

Density-functional calculations of spin coupling in [Fe.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 95, doi. 10.1002/qua.560560710

By:

Mouesca, Jean-Marie;
Noodleman, Louis;
Case, David A.

Publication type:

Article

Structure-pK.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 201, doi. 10.1002/qua.560560721

By:

Molnar, Stephen P.;
King, James W.

Publication type:

Article

1995 Sanibel Symposia. List of participants.

Published in:: International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 3, doi. 10.1002/qua.560560703
Publication type:: Article

Hydrolytic stability of allylic and phenolic esters of some synthetic cannabinoids: A theoretical (AM1) study.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 137, doi. 10.1002/qua.560560714

By:

Pop, Emil;
Brewster, Marcus E.;
Huang, Ming-Ju;
Bodor, Nicholas

Publication type:

Article

On characterization of the conformations of nine-membered rings.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 61, doi. 10.1002/qua.560560707

By:

Randić, Milan

Publication type:

Article

Nitrogen radical cations as intermediates in enzymatically mediated oxidative deaminations-application of molecular parametric models.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 171, doi. 10.1002/qua.560560718

By:

Huang, Ming-Ju;
Doerge, Daniel;
Bodor, Nicholas;
Pop, Emil;
Brewster, Marcus E.

Publication type:

Article

Modeling intercalated.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 191, doi. 10.1002/qua.560560720

By:

Von Szentpály, László;
Shamovsky, Igor L.

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 1, doi. 10.1002/qua.560560702

By:

Öhrn, Y.;
Sabin, J. R.;
Zerner, M. C.

Publication type:

Article

Theoretical studies on nonsteroidal anti inflammatory drugs. Benoxaprofen, chlorpromazine, and piroxicam.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 123, doi. 10.1002/qua.560560713

By:

De Alencastro, Ricardo Bicca;
Da Motta Neto, Mjoaquim Delphino

Publication type:

Article

Semiempirical study of the bergman reaction: Towards a computationally efficient and accurate method for modeling the enediyne anticancer antibiotics.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 51, doi. 10.1002/qua.560560706

By:

Brummel, Heather A.;
Shields, George C.

Publication type:

Article

Relative reactivity of 1,4- and 1,6-dihydronicotinic acid derivatives to radically mediated oxidation-a theoretical and experimental evaluation.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 161, doi. 10.1002/qua.560560717

By:

Brewster, Marcus E.;
Browne, Clinton;
Bodor, Nicholas;
Pop, Emil;
Huang, Ming-Ju;
Balaban, Alexandru T.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. fmi, doi. 10.1002/qua.560560701
Publication type:: Article

A theoretical investigation of the solution N(7) H ⟷ N(9) H tautomerism of adenine.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 113, doi. 10.1002/qua.560560712

By:

Holmén, Anders;
Broo, Anders

Publication type:

Article

Quantum chemistry in.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 39, doi. 10.1002/qua.560560705

By:

Bruno-Blanch, Luis;
Estiuz, Guillermina L.

Publication type:

Article

Absorption and ionization spectra of model rubredoxins.

Published in:

International Journal of Quantum Chemistry, 1995, v. 56, n. S22, p. 155, doi. 10.1002/qua.560560716

By:

Stavrev, Krassimir K.;
Zerner, Michael C.

Publication type:

Article