Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile.

[1]  D. Avcı,et al.  Quantum chemical computational studies on bis-thiourea zinc acetate , 2013 .

[2]  D. Avcı,et al.  Theoretical investigation of 5-(2-acetoxyethyl)-6-methylpyrimidin-2,4-dione: conformational study, NBO and NLO analysis, molecular structure and NMR spectra. , 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[3]  D. Avcı,et al.  Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide. , 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[4]  I. Uçar,et al.  A combined crystallographic, spectroscopic, antimicrobial, and computational study of novel dipicolinate copper(II) complex with 2-(2-hydroxyethyl)pyridine , 2012, Structural Chemistry.

[5]  Marijana Jukić,et al.  Synthesis, X-ray and spectroscopic analysis of some pyridine derivatives , 2010 .

[6]  V. Mukherjee,et al.  FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines. , 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[7]  D. Avcı,et al.  Effects of different GIAO and CSGT models and basis sets on 2-aryl-1,3,4-oxadiazole derivatives , 2009 .

[8]  D. Avcı,et al.  Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations. , 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[9]  D. Avcı,et al.  Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores , 2008, Journal of molecular modeling.

[10]  J. Heo,et al.  Microwave-promoted synthesis of amino-substituted 2-pyridone derivatives via palladium-catalyzed amination reaction , 2005 .

[11]  J. Chocholousová,et al.  First local minimum of the formic acid dimer exhibits simultaneously red-shifted O?H?O and improper blue-shifted C?H?O hydrogen bonds , 2004 .

[12]  Rose Ann Ferre,et al.  Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. Part 7: structure-activity studies of bicyclic 2-pyridone-containing peptidomimetics. , 2002, Bioorganic & medicinal chemistry letters.

[13]  Bo Liu,et al.  Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. , 2002, Journal of medicinal chemistry.

[14]  D. Comins,et al.  A practical six-step synthesis of (S)-camptothecin. , 2001, Organic letters.

[15]  S. Galembeck,et al.  Conformational preferences of non-nucleoside HIV-1 reverse transcriptase inhibitors , 2001 .

[16]  R. Parr,et al.  Information theory, atoms in molecules, and molecular similarity. , 2000, Proceedings of the National Academy of Sciences of the United States of America.

[17]  G. Maroulis.  Static hyperpolarizability of the water dimer and the interaction hyperpolarizability of two water molecules , 2000 .

[18]  L. Mitscher,et al.  The 2‐pyridone antibacterial agents: bacterial topoisomerase inhibitors , 2000, Medicinal research reviews.

[19]  P. Fossa,et al.  Ionization behaviour and tautomerism-dependent lipophilicity of pyridine-2(1H)-one cardiotonic agents. , 2000, Bioorganic & medicinal chemistry.

[20]  Erik De Clercq,et al.  Perspectives of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection , 1999 .

[21]  R. Boggia,et al.  3-Acetyl-5-acylpyridin-2(1H)-ones and 3-acetyl-7,8-dihydro-2,5(1H,6H)-quinolinediones: synthesis, cardiotonic activity and computational studies. , 1999, Farmaco.

[22]  J. Gauss,et al.  Frequency-dependent polarizabilities and first hyperpolarizabilities of CO and H2O from coupled cluster calculations , 1999 .

[23]  G. Santostasi,et al.  New inotropic agents: milrinone analogs. , 1997, General pharmacology.

[24]  D. Comins,et al.  Concise Synthesis of Mappicine Ketone and (±)-Mappicine , 1996 .

[25]  A. Becke.  Density-functional thermochemistry. III. The role of exact exchange , 1993 .

[26]  D. Dean,et al.  Synthesis, chemistry, and antineoplastic activity of alpha-halopyridinium salts: potential pyridone prodrugs of acylated vinylogous carbinolamine tumor inhibitors. , 1990, Journal of medicinal chemistry.

[27]  L. Curtiss,et al.  Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint , 1988 .

[28]  P. DeShong,et al.  A general method for the synthesis of tetramic acid derivatives , 1988 .

[29]  Parr,et al.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.

[30]  R. Pearson,et al.  Absolute electronegativity and hardness correlated with molecular orbital theory. , 1986, Proceedings of the National Academy of Sciences of the United States of America.

[31]  G. Birnbaum.  Phenomena Induced by Intermolecular Interactions , 1985 .

[32]  Frank Weinhold,et al.  Natural localized molecular orbitals , 1985 .

[33]  F. Weinhold,et al.  Natural population analysis , 1985 .

[34]  Frank Weinhold,et al.  Natural bond orbital analysis of near‐Hartree–Fock water dimer , 1983 .

[35]  K. Fukui,et al.  Role of frontier orbitals in chemical reactions. , 1982, Science.

[36]  R. S. Mulliken.  Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I , 1955 .

[37]  B. Koşar,et al.  Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol. , 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[38]  Clark R. Landis,et al.  Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective , 2005 .

[39]  Æleen Frisch,et al.  Exploring chemistry with electronic structure methods , 1996 .

[40]  R. Cox,et al.  Synthesis of isotopically labelled 3-amino-2-phenylpropionic acid and its role as a precursor in the biosynthesis of tenellin and tropic acid , 1991 .

[41]  R. Bader.  Atoms in molecules : a quantum theory , 1990 .

[42]  M. Delfini,et al.  Proton and carbon nuclear magnetic resonance study on some n- and o-acyl derivatives of monohydroxypyridines , 1984 .

[43]  N. F. Lane.  The theory of electron-molecule collisions , 1980 .

[44]  H. Labhart,et al.  Zur Deutung des UV.‐Spektrums von Pyridin‐N‐oxid , 1969 .