Ab initio study of the structure of guanine-cytosine base pair conformers in gas phase and polar solvents
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[1] R. SANTAMARIA,et al. Structural and electronic property changes of the nucleic acid bases upon base pair formation , 1994, J. Comput. Chem..
[2] Pavel Hobza,et al. Double Proton Transfer: From the Formamide Dimer to the Adenine.cntdot..cntdot..cntdot.Thymine Base Pair , 1994 .
[3] Peter A. Kollman,et al. Theoretical Investigation of the Hydrogen Bond Strengths in Guanine-Cytosine and Adenine-Thymine Base Pairs , 1994 .
[4] Pavel Hobza,et al. Proton Transfer in the Adenine-Thymine Base Pair , 1994 .
[5] A. R. Morgan. Base mismatches and mutagenesis: how important is tautomerism? , 1993, Trends in biochemical sciences.
[6] J. Florián,et al. Structure, energetics, and harmonic vibrational spectra of the adenine-thymine and adenine*-thymine* base pairs : gradient nonempirical and semiempirical study , 1993 .
[7] A. Leach,et al. Theoretical investigations of novel nucleic acid bases , 1992 .
[8] Péter R. Surján,et al. Monomer geometry relaxation and the basis set superposition error , 1992 .
[9] L. Williams,et al. Variable temperature infrared spectroscopy of cytosine-guanine base pairs: tautomerism versus polarization. , 1992, Journal of biomolecular structure & dynamics.
[10] J. Leszczynski. Are the amino groups in the nucleic acid bases coplanar with the molecular rings? Ab initio HF/6‐31G* and MP2/6‐31G* studies , 1992 .
[11] J. Leszczynski,et al. An ab initio quantum-mechanical study of tautomerism of purine, adenine and guanine , 1990 .
[12] R. Czerminski,et al. Quantum-mechanical studies of the structures of cytosine dimers and guanine—cytosine pairs , 1989 .
[13] R. Czerminski,et al. Tautomerism of nucleic acid bases and the effect of molecular interactions on tautomeric equilibria , 1989 .
[14] P. Löwdin,et al. Studies on proton transfers in water clusters and DNA base pairs , 1987 .
[15] P. Hobza,et al. Nonempirical calculations on all the 29 possible DNA base pairs , 1987 .
[16] R. Zahradník,et al. Stacking interactions: Ab initio SCF and MP2 study on (H2O)2, (H2S)2, (HCN)2, (CH2O)2 and (C2H4)2 , 1986 .
[17] P. Hobza,et al. The minimal basis set MINI-1—powerful tool for calculating intermolecular interactions. II. Ionic complexes , 1984 .
[18] P. Hobza,et al. Minimal basis set MINI-1 — powerful tool for calculating of molecular interactions. I. Neutral complexes , 1984 .
[19] H. Berman,et al. The structure of the ribodinucleoside monophosphate guanylyl‐3',5'‐cytidine as its ammonium octahydrate salt , 1983 .
[20] S. Huzinaga,et al. A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to Zn , 1979 .
[21] Steve Scheiner,et al. Molecular orbital investigation of multiply hydrogen bonded systems. Formic acid dimer and DNA base pairs , 1979 .
[22] L. Sukhodub,et al. Experimental studies of molecular interactions between nitrogen bases of nucleic acids , 1979, Biopolymers.
[23] M. D. Topal,et al. Complementary base pairing and the origin of substitution mutations , 1976, Nature.
[24] N C Seeman,et al. RNA double-helical fragments at atomic resolution. II. The crystal structure of sodium guanylyl-3',5'-cytidine nonahydrate. , 1976, Journal of molecular biology.
[25] A. Meunier,et al. Corrélation électronique et effets de base dans l'étude de la liaison hydrogène: le dimère mixte ammoniac-eau , 1973 .
[26] Enrico Clementi,et al. Study of the Electronic Structure of Molecules. XII. Hydrogen Bridges in the Guanine–Cytosine Pair and in the Dimeric Form of Formic Acid , 1971 .
[27] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .
[28] S. Lunell,et al. Study of the hydrogen bonding in the adenine-thymine, adenine-cytosine, and guanine-thymine base pairs. , 1967, The Journal of chemical physics.
[29] R. Rein,et al. Studies of Hydrogen‐Bonded Systems. III. Potential‐Energy Surface, Tunneling, and Tautomeric Equilibria in the N–H···N and O···H–N Bonds of the Guanine—Cytosine Base Pair , 1965 .
[30] R. Rein,et al. STUDIES OF HYDROGEN-BONDED SYSTEMS. II. TUNNELING AND TAUTOMERIC EQUILIBRIA IN THE N-H...N HYDROGEN BOND OF THE GUANINE-CYTOSINE BASE PAIR. , 1965, The Journal of chemical physics.
[31] R. Rein,et al. Studies of Hydrogen‐Bonded Systems. I. The Electronic Structure and the Double Well Potential of the N–H···N Hydrogen Bond of the Guanine—Cytosine Base Pair , 1964 .
[32] R. Rein,et al. Semiempirical SCF—LCAO—MO Calculation of the Electronic Structure of the Guanine—Cytosine Base Pair: Possible Interpretation of the Mutagenic Effect of Radiation , 1964 .
[33] Per-Olov Löwdin,et al. Proton Tunneling in DNA and its Biological Implications , 1963 .
[34] L. Onsager. Electric Moments of Molecules in Liquids , 1936 .
[35] L. Williams,et al. In a model cytosine:guanine base pair, one amino group rotates and the other does not , 1990 .
[36] P. Löwdin. QUANTUM GENETICS AND THE APERIODIC SOLID. SOME ASPECTS ON THE BIOLOGICAL PROBLEMS OF HEREDITY, MUTATIONS, AGEING, AND TUMORS IN VIEW OF THE QUANTUM THEORY OF THE DNA MOLECULE , 1966 .