Nonvalence Correlation-Bound Anion States of Spherical FullerenesVOORA, Vamsee K; JORDAN, Kenneth D.Nano letters (Print). 2014, Vol 14, Num 8, pp 4602-4606, issn 1530-6984, 5 p.Article

Normalization factors for Kubic harmonic density functionsZHENGWEI SU; COPPENS, P.Acta crystallographica. Section A, Foundations of crystallography. 1994, Vol 50, pp 408-409, issn 0108-7673, 3Article

Physical meaning of electrooptical parameters derived from infrared intensitiesGUSSONI, M; CASTIGLIONI, C; ZERBI, G et al.Journal of physical chemistry (1952). 1984, Vol 88, Num 3, pp 600-604, issn 0022-3654Article

Significance of neutrons from the atomic bomb at Hiroshima for revised radiation risk estimatesBRENNER, D. J.Health physics (1958). 1991, Vol 60, Num 3, pp 439-442, issn 0017-9078Article

The use of atomic charges and orbital energies as hydrogen-bonding-donor parameters for QSAR studies : Comparison of MNDO, AM1 and PM3 methodsGHAFOURIAN, T; DEARDEN, J. C.Journal of pharmacy and pharmacology. 2000, Vol 52, Num 6, pp 603-610, issn 0022-3573Article

Reaction of methane with molecular fluorine : an ab initio MO studyKANEKO, C; TOYOTA, A; CHIBA, J et al.Chemical and pharmaceutical bulletin. 1994, Vol 42, Num 3, pp 745-747, issn 0009-2363Article

Quantum mechanical basis for Mulliken population analysisCARBO-DORCA, Ramon; BULTINCK, Patrick.Journal of mathematical chemistry. 2004, Vol 36, Num 3, pp 231-239, issn 0259-9791, 9 p.Article

A relationship between the molecular polarizability, molecular dipole moment and atomic electronegativities in AB and AB_n moleculesDINUR, U.Journal of molecular structure. Theochem. 1994, Vol 303, pp 227-237, issn 0166-1280Article

The shape of the cancer mortality dose-response curve for the A-bomb survivorsPIERCE, D. A; VAETH, M.Radiation research. 1991, Vol 126, Num 1, pp 36-42, issn 0033-7587Article

Electronegativities and hardnesses of the main group elements from density functional theory: dependence on the hybridization of the chemical bondBÖHM, M. C; SCHMIDT, P. C.Berichte der Bunsengesellschaft für Physikalische Chemie. 1986, Vol 90, Num 10, pp 913-919, issn 0005-9021Article

Dipole moment derivatives, polar tensors, and effective charges of silicon tetrafluorideKWAN KIM.Journal of physical chemistry (1952). 1984, Vol 88, Num 11, pp 2394-2397, issn 0022-3654Article

Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge densityVOLKOV, A; GATTI, C; ABRAMOV, Yu et al.Acta crystallographica. Section A, Foundations of crystallography. 2000, Vol 56, Num 3, pp 252-258, issn 0108-7673Article

Theoretical analysis of deoxycytidine-5'-phosphate protonationSTARIKOV, E. B; PEDASH, Y. F.Biopolymers. 1990, Vol 30, Num 3-4, pp 349-355, issn 0006-3525, 7 p.Article

The correlation between the ionic degree of covalent bond comprising polymer main chain and the ionic yield due to mechanical fractureSAKAGUCHI, Masato; MAKINO, Masakazu; OHURA, Takeshi et al.Polymer (Guildford). 2014, Vol 55, Num 8, pp 1917-1919, issn 0032-3861, 3 p.Article

Atomic valence in molecular systemsBOCHICCHIO, R. C; LAIN, L; TORRE, A et al.Chemical physics letters. 2003, Vol 375, Num 1-2, pp 45-53, issn 0009-2614, 9 p.Article

Adatom effective charge in morphology evolution on Si(111) surfaceLATYSHEV, A. V; MINODA, H; TANISHIRO, Y et al.Applied surface science. 1998, Vol 130-32, pp 60-66, issn 0169-4332Conference Paper

Self-returning walks and fractional electronic charges of atoms in moleculesBONCHEV, D; KIER, L. B; MEKENYAN, O et al.International journal of quantum chemistry. 1993, Vol 46, Num 5, pp 635-649, issn 0020-7608Article

Computer-assisted prediction for industrial organic reactions based on a semi-fromal approachSUZUKI, T; ISHIDA, M.Computers & chemistry. 1990, Vol 14, Num 3, pp 211-217, issn 0097-8485Article

Charge calculations in molecular mechanics 6: the calculation of partial atomic charges in nucleic acid bases and the electrostatic contribution to DNA base pairingABRAHAM, R. J; SMITH, P. E.Nucleic acids research. 1988, Vol 16, Num 6, pp 2639-2657, issn 0305-1048Article

Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic AcidZHUROV, Vladimir V; PINKERTON, A. Alan.Crystal growth & design. 2014, Vol 14, Num 11, pp 5685-5691, issn 1528-7483, 7 p.Article

First-principles study of hypothetical boron crystals: B_n(n = 13, 14, 15)AYDIN, Sezgin; SIMSEK, Mehmet.Solid state sciences. 2012, Vol 14, Num 11-12, pp 1636-1642, issn 1293-2558, 7 p.Conference Paper

Atomic Volume as a Descriptor for Carbon Electronic Structure and StabilityKRZAN, Andrej; MAVRI, Janez.Journal of organic chemistry. 2011, Vol 76, Num 6, pp 1891-1893, issn 0022-3263, 3 p.Article

Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid : A Combined Experimental and Theoretical Electron Density StudyCHOPRA, Deepak; ZHUROV, Vladimir V; ZHUROVA, Elizabeth A et al.Journal of organic chemistry. 2009, Vol 74, Num 6, pp 2389-2395, issn 0022-3263, 7 p.Article

Computational approaches to the dynamics of ions and electrons in materials under extreme conditionsMATHIEU, Didier; LUCAS, Antoine.Computational materials science. 2007, Vol 38, Num 3, pp 514-521, issn 0927-0256, 8 p.Conference Paper

Atomic interactions in ethylenebis(1-indenyl)zirco nium dichloride as derived by experimental electron density analysisSTASH, Adam I; TANAKA, Kiyoaki; SHIOZAWA, Kazunari et al.Acta crystallographica. Section B, Structural science. 2005, Vol 61, Num 4, pp 418-428, issn 0108-7681, 11 p.Article