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Errata
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[No author name available]
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1988 |
Journal
of Molecular Structure: THEOCHEM
182 (C), pp. 12
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0
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Photofragmentation in non-symmetric carbonyl compounds
Show Abstract
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Chandra, A.K.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 255-266
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1
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A theoretical study of the reaction nitrile oxides with methyl
amine
Show Abstract
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Sharma, K.K., Aggarwal, A.K.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 389-399
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0
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Molecular dynamic simulation of energy fluxes in pulsed molecular
systems
Show Abstract
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Hardy, J.R., Karo, A.M.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 353-360
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0
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The first 'molecular" theory (1620): Isaac Beeckman (1588-1637)
Show Abstract
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Kubbinga, H.H.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 205-218
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0
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A theoretical study of adiabatic proton transfer to simple substituted
nitriles in their ground and excited states
Show Abstract
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Martin, P.S., Yates, K., Csizmadia, I.G.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 267-283
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0
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Potential energy surface near the Hartree-Fock instability
threshold
Show Abstract
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Mestechkin, M. |
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 231-236
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0
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Accurate calculation of brønsted acidities using low-level ab initio
methods
Show Abstract
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Siggel, M.R.F., Ji, D., Thomas, T.D., Sæthre, L.J.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 305-314
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1
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Quantum-chemical and experimental investigations of photochromic
transformations in quinone compounds
Show Abstract
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Gritsan, N.P.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 285-296
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1
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Monte Carlo simulation of 1,2-dichloroethane in dilute benzene
solution
Show Abstract
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Alemany, P., Vilaseca, E.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 345-352
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0
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On the use of "pseudo-atoms" in cluster calculations for modelling
molecular fragments, solids and surfaces
Show Abstract
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Révész, M., Bertóti, I., Mink, G., Mayer, I.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 335-343
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0
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Quantum chemical and molecular mechanics calculations on the thiamine
pyrophosphate system
Show Abstract
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Friedemann, R., Uslar, W.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 401-410
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2
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Simple determination of water orientation around hydrated
molecules
Show Abstract
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Nagy, P.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 361-375
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1
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Theoretical study on the reaction mechanism of excited-state 1,3
hydrogen transfer in formamide
Show Abstract
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Tanaka, H., Nishimoto, K.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 297-303
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1
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Analytical relationship between magnetic susceptibilities and resonance
energies of Möbius (4n)π-electron annulenes
Show Abstract
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Mizoguchi, N.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 245-250
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0
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Carbon monoxide activation by alkali atoms: IR and ab initio
results
Show Abstract
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Silvi, B., Manceron, L., Ayed, O., Person, W.B.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 325-333
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2
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Mean π-electron energy and chemical potential in annulenes and linear
polyenes: A statistical interpretation in alternant molecular orbital
theory
Show Abstract
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Marañón, J., Grinberg, H.
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1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 251-254
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0
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2-R 2-Oxo 1,3,2-dioxaphosphorinans. Part 1. Radiocrystallographic
determination of the crystal structures and quantum analysis of the
conformations
Show Abstract
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Maouche, Y., Maouche, B., Brianso, M.C.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 377-388
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0
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Ab initio SCF calculations of 3P Mg and Be atom activation of
methane
Show Abstract
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Lefcourt, M.A., Merritt, C.L., Peterson, M.R., Csizmadia, I.G.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 315-324
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2
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Study of the transferability of some molecular properties
Show Abstract
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Kapuy, E., Daudel, R., Kozmutza, C.
|
1988 |
Journal
of Molecular Structure: THEOCHEM
181 (3-4), pp. 237-243
|
3
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