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Results 1 to 25 of 1814

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Rattling Motion of Alkali Metal Ions through the Cavities of Model Compounds of Graphyne and Graphdiyne : STRUCTURE AND DYNAMICS: BORN-OPPENHEIMER THEORIES AND APPLICATIONS, REACTION DYNAMICS, AND MOLECULE SURFACE SCATTERINGCHANDRA SHEKAR, S; SWATHI, R. S.The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8632-8641, issn 1089-5639, 10 p.Article

The Prominent Enhancing Effect of the Cation―π Interaction on the Halogen―Hydride Halogen Bond in M1•••C6H5X•••HM2RAN LI; QINGZHONG LI; JIANBO CHENG et al.ChemPhysChem (Print). 2011, Vol 12, Num 12, pp 2289-2295, issn 1439-4235, 7 p.Article

Coumarin 153 emission thermochromism studied in non-specifically and specifically interacting solventsTOMCZAK, Justyna; DOBEK, Krzysztof.Journal of luminescence. 2009, Vol 129, Num 8, pp 884-891, issn 0022-2313, 8 p.Article

Classical and quantum evaluation in the low temperature limit of the Keesom integral for the interaction between permanent dipolesBATTEZZATI, Michele; MAGNASCO, Valerio.Comptes rendus. Chimie. 2009, Vol 12, Num 8, pp 854-860, issn 1631-0748, 7 p.Conference Paper

SCF-MO study of the polyhydration of N,N'-dimethylmalonamideALEMAN, C; PEREZ, J. J.International journal of peptide & protein research. 1993, Vol 41, Num 6, pp 606-610, issn 0367-8377Article

Consistent force field modeling of matrix-isolated molecules : site dependence of normal vibrations of gauche-1,2-difluoroethane : Ar364GUNDE, R; KELLER, H. J; HA, T.-K et al.Journal of physical chemistry (1952). 1991, Vol 95, Num 7, pp 2802-2810, issn 0022-3654, 9 p.Article

Sensitivity of Coulomb-explosion images to the shapes of molecular potentials : the case of He22+SAIJFMAN, D; KANTER, E. P; VAGER, Z et al.Physical review. A, Atomic, molecular, and optical physics. 1991, Vol 43, Num 3, pp 1608-1610, 3 p.Article

Molecular dynamics on the connection machine using fortranBOLTJES, B; DE LEEUW, S. W.Molecular simulation. 1991, Vol 7, Num 1-2, pp 1-42, issn 0892-7022Article

New developments in the continuum representation of solvent effectsMORALES-LAGOS, D; GOMEZ-JERIA, J. S.Journal of physical chemistry (1952). 1991, Vol 95, Num 13, pp 5308-5314, issn 0022-3654Article

Interpretation of Hund's for first-row hydrides AH (A=Li, B, N, F)VALENTA DARVESH, K; FRICKER, P. D; BOYD, R. J et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 9, pp 3480-3484, issn 0022-3654Article

Circuit resonance energies for Hückel and Möbius polycyclic conjugated moleculesMIZOGUCHI, N.Chemical physics letters. 1989, Vol 158, Num 5, pp 383-388, issn 0009-2614, 6 p.Article

Computer modelling of energy migration in disordered systemsARUTIUNOV, A. B; HARITONOV, K. Y; JOHANSSON, L. B.-Å et al.Chemical physics letters. 1992, Vol 194, Num 1-2, pp 105-108, issn 0009-2614Article

Energy relaxation time in a gas mixture measured by a photothermal probe beam deflection techniqueGAGNE, M.-C; CHIN, S. L.Applied physics. B, Photophysics and laser chemistry. 1991, Vol 52, Num 5, pp 352-358, issn 0721-7269Article

Models for molecular reorientationSTEELE, W. A.Studies in physical and theoretical chemistry. 1991, Vol 74, pp 63-123, issn 0167-6881Article

Nonadditive Monte Carlo simulation of liquid hydrogen chloride difference algorithm and parallel implementationSTEINHAUSER, O; BORESCH, S; BERTAGNOLLI, H et al.Molecular simulation. 1991, Vol 7, Num 1-2, pp 71-88, issn 0892-7022Article

Calculations for diabolic pair-transfer below the Coulomb BarrierDE BOER, J; DASSO, C. H; POLLAROLO, G et al.Spectrochimica acta. Part A : Molecular spectroscopy. 1990, Vol 335, Num 2, pp 199-202, issn 0584-8539Article

Ultraviolet and visible absorption spectra of biscarbocyanine dyesDYADYUSHA, G. G; KOLESNIKOV, A. M; KACHKOVSKI, A. D et al.Dyes and pigments. 1989, Vol 10, Num 2, pp 111-121, issn 0143-7208, 11 p.Article

Study of spin polarisation in elastic scattering of electrons from Hg, Tl, Pb and Bi atomsKAUSSEN, F; GEESMANN, H; HANNE, G. F et al.Journal of physics. B. Atomic and molecular physics. 1987, Vol 20, Num 1, pp 151-165, issn 0022-3700Article

Anti-SU(5)DERENDINGER, J.-P; KIM, J. E; NANOPOULOS, D. V et al.Physics letters. Section B. 1984, Vol 139, Num 3, pp 170-176, issn 0370-2693Article

Charge-resonance energies in dimer cations of aromaticsCHANDRA, A. K; BHANUPRAKASH, K; JYOTI BHASU, V. C et al.Molecular physics (Print). 1984, Vol 52, Num 3, pp 733-741, issn 0026-8976Article

Maxwell equations in conformal invariant electrodynamicsFRADKIN, E. S; KOZHEVNIKOV, A. A; PALCHIK, M. YA et al.Communications in mathematical physics. 1983, Vol 91, Num 4, pp 529-541, issn 0010-3616Article

Interplay between Metal···π Interactions and Hydrogen Bonds: Some Unusual Synergetic Effects of Coinage Metals and SubstituentsMENG GAO; XIN YANG; JIANBO CHENG et al.ChemPhysChem (Print). 2013, Vol 14, Num 14, pp 3341-3347, issn 1439-4235, 7 p.Article

The fluctuation-dissipation theory of the kink in hydrogen-bonded chainsJI-ZHONG XU.Solid state communications. 1993, Vol 85, Num 2, pp 145-149, issn 0038-1098Article

A new quantum propagator for hard sphere and cavity systemsCAO, J; BERNE, B. J.The Journal of chemical physics. 1992, Vol 97, Num 4, pp 2382-2385, issn 0021-9606Article

Treatment of electrostatic effects within the molecular mechanics method. III, Double bonds and conjugated systemsDOSEN-MICOVIC, L; SHUSEN LI; ALLINGER, N. L et al.Journal of physical organic chemistry. 1991, Vol 4, Num 8, pp 467-478, issn 0894-3230, 12 p.Article

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