-
2
-
-
84986782949
-
"Fourier transform Raman spectroscopic study of fungi"
-
H.G.M. Edwards, N.C. Russell, R. Weinstein and D.D. Wynn-Williams: "Fourier transform Raman spectroscopic study of fungi", J. Raman Spectroscopy, Vol 26, (1995), pp. 911-916.
-
(1995)
J. Raman Spectroscopy
, vol.26
, pp. 911-916
-
-
Edwards, H.G.M.1
Russell, N.C.2
Weinstein, R.3
Wynn-Williams, D.D.4
-
3
-
-
0034609395
-
"Vibrational spectroscopic studies on the dyes cresyl violet and coumarin 152"
-
E. Vogel, A. Gbureck and W. Kiefer: "Vibrational spectroscopic studies on the dyes cresyl violet and coumarin 152", J. Mol. Struct., Vol. 550-551, (2000), p. 177.
-
(2000)
J. Mol. Struct.
, vol.550-551
, pp. 177
-
-
Vogel, E.1
Gbureck, A.2
Kiefer, W.3
-
4
-
-
0034714071
-
"Vibrational spectroscopic studies on the natural product, ginkgolide"
-
W.-L Zhu, C.M. Puah, Z.-J. Tan, H.-L. Jiang, K.-X. Chem and R.-Y. Ji: "Vibrational spectroscopic studies on the natural product, ginkgolide", J. Mol. Struct. (Theochem), Vol. 529, (2000), pp. 193.
-
(2000)
J. Mol. Struct. (Theochem)
, vol.529
, pp. 193
-
-
Zhu, W.-L.1
Puah, C.M.2
Tan, Z.-J.3
Jiang, H.-L.4
Chem, K.-X.5
Ji, R.-Y.6
-
5
-
-
0037207607
-
"Vibrational spectroscopic studies on the natural product, columbianadin"
-
J.P. Abraham, I.H. Joe, V. George, O.F. Nielsen, V.S. Jayakumar: "Vibrational spectroscopic studies on the natural product, columbianadin", Spectrochim. Acta A, Vol. 59, (2003), p. 193.
-
(2003)
Spectrochim. Acta A
, vol.59
, pp. 193
-
-
Abraham, J.P.1
Joe, I.H.2
George, V.3
Nielsen, O.F.4
Jayakumar, V.S.5
-
7
-
-
0002064783
-
"Ab initio calculation of the force field of Ethylene"
-
P. Pulay and W. Meyer: "Ab initio calculation of the force field of Ethylene", J. Mole. Spectrosc., Vol. 40, (1971), p. 59.
-
(1971)
J. Mole. Spectrosc.
, vol.40
, pp. 59
-
-
Pulay, P.1
Meyer, W.2
-
8
-
-
33750463779
-
"Optimization of equilibrium geometries and transition"
-
J.A. Pople, R. Krishnan, H.B. Schlegel, J.S. Binkley: "Optimization of equilibrium geometries and transition", Int. J. Quantum Chem. Symp., Vol. 13, (1979), p. 59.
-
(1979)
Int. J. Quantum Chem. Symp.
, vol.13
, pp. 59
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
9
-
-
0020843873
-
"Combination of Theoretical ab initio and Experimental Information to Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde and Ethylene"
-
P. Pulay, G. Fogarasi, G. Pongor, J.E. Boggs and A. Vargha: "Combination of Theoretical ab initio and Experimental Information to Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde and Ethylene", J. Am. Chem. Soc., Vol. 105, (1983), p. 7037.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7037
-
-
Pulay, P.1
Fogarasi, G.2
Pongor, G.3
Boggs, J.E.4
Vargha, A.5
-
10
-
-
0000566207
-
"Vibrational Spectra and Structure"
-
In: J.R. Durig (Ed.) Elsevier, Amsterdam
-
G. Fogarasi and P. Pulay: "Vibrational Spectra and Structure", In: J.R. Durig (Ed.): Vibrational Spectra and Structure, Vol. 14, Elsevier, Amsterdam, 1985, p. 125.
-
(1985)
Vibrational Spectra and Structure
, vol.14
, pp. 125
-
-
Fogarasi, G.1
Pulay, P.2
-
11
-
-
0001685342
-
"Application of Electronic Structure Theory"
-
In: H.F. Schaefer III (Ed.) Plenum, New York
-
P. Pulay: "Application of Electronic Structure Theory", In: H.F. Schaefer III (Ed.): Application of Electronic Structure Theory, Modern Theoretical Chemistry, Vol. 4, Plenum, New York, 1997, p. 153.
-
(1997)
Application of Electronic Structure Theory, Modern Theoretical Chemistry
, vol.4
, pp. 153
-
-
Pulay, P.1
-
12
-
-
0032003674
-
"Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical (SQM) Force Fields"
-
J. Baker, A.A. Jarzecki and P. Pulay: "Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical (SQM) Force Fields", J. Phys. Chem. A, Vol. 102, (1998), p. 1412.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1412
-
-
Baker, J.1
Jarzecki, A.A.2
Pulay, P.3
-
13
-
-
0004133516
-
-
(revision B.3) Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Truchs, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomeri, M.A. Al-Laham, U.G. Zakrzewski, J.V. Ortiz, J.B. Fotesman, C.Y. Reng, P.Y. Ayala, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gardon, C. Gonzalez and J.A. Pople: Gaussian 94w (revision B.3), Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94w
-
-
Frisch, M.J.1
Truchs, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomeri, J.A.10
Al-Laham, M.A.11
Zakrzewski, U.G.12
Ortiz, J.V.13
Fotesman, J.B.14
Reng, C.Y.15
Ayala, P.Y.16
Wong, M.W.17
Andres, J.L.18
Replogle, E.S.19
Gomperts, R.20
Martin, R.L.21
Fox, D.J.22
Binkley, J.S.23
Defrees, D.J.24
Baker, J.25
Stewart, J.P.26
Head-Gardon, M.27
Gonzalez, C.28
Pople, J.A.29
more..
-
14
-
-
0034360728
-
"Synthesis and some reactions of 2-mercapto-4-hydroxypyrimidine [3,4-b] coumarin"
-
I.M. El-Deen and H.K. Ibrahim: "Synthesis and some reactions of 2-mercapto-4-hydroxypyrimidine [3,4-b] coumarin", Phosphorous, Sulphur And Silicon, Vol. 160, (2000), p. 241.
-
(2000)
Phosphorous, Sulphur And Silicon
, vol.160
, pp. 241
-
-
El-Deen, I.M.1
Ibrahim, H.K.2
-
15
-
-
0033824936
-
"Synthesis of some new fused coumarin derivatives"
-
I.M. El-Deen, H.K. Moheny, H.K. Ibrahim and F.F. Mohmoud: "Synthesis of some new fused coumarin derivatives", Chiness J. Chem., Vol. 18, (2000), p. 590.
-
(2000)
Chiness J. Chem.
, vol.18
, pp. 590
-
-
El-Deen, I.M.1
Moheny, H.K.2
Ibrahim, H.K.3
Mohmoud, F.F.4
-
16
-
-
9344269016
-
"Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields"
-
G. Rauhut and P. Pulay: "Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields", J. Phys. Chem., Vol. 99, (1995), p. 3093.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 3093
-
-
Rauhut, G.1
Pulay, P.2
-
17
-
-
0000339640
-
"The calculation of ab initio molecular geometries: Efficient optimization by natural internal coordinates and empirical correction by offset forces"
-
G. Fogarasi, X. Zhou, P.W. Taylor and P. Pulay: "The calculation of ab initio molecular geometries: Efficient optimization by natural internal coordinates and empirical correction by offset forces", J. Am. Chem. Soc., Vol. 114, (1992), p. 8191.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8191
-
-
Fogarasi, G.1
Zhou, X.2
Taylor, P.W.3
Pulay, P.4
-
18
-
-
45149140289
-
"219 (1990) 321; "MOLVIB, A program for Harmonic Force Field Calculations, QCPE program No. 604, 199"
-
T. Sundius: "219 (1990) 321; "MOLVIB, A program for Harmonic Force Field Calculations, QCPE program No. 604, 199", J. Mol. Struct., Vol. 219, (1990), p. 321.
-
(1990)
J. Mol. Struct.
, vol.219
, pp. 321
-
-
Sundius, T.1
-
19
-
-
0037024719
-
"Scaling of ab initio force fields by MOLVIB"
-
T. Sundius: "Scaling of ab initio force fields by MOLVIB", Vibr. Spectrosc., Vol 29, (2002), p. 89.
-
(2002)
Vibr. Spectrosc.
, vol.29
, pp. 89
-
-
Sundius, T.1
-
22
-
-
0345357823
-
"Normal coordinate analysis of 2-mercapto and 4,6-dihydroxy-2-mercapto pyrimidines"
-
V. Krishnakumar and R. John Xavier: "Normal coordinate analysis of 2-mercapto and 4,6-dihydroxy-2-mercapto pyrimidines", Indian J. Pure Appl. Phys., Vol. 41, (2003), p. 597.
-
(2003)
Indian J. Pure Appl. Phys.
, vol.41
, pp. 597
-
-
Krishnakumar, V.1
John Xavier, R.2
-
23
-
-
0037782211
-
"Normal coordinates analysis of vibrational spectra of 2-methylindoline and 5-hydroxyindane"
-
V. Krishnakumar and R. John Xavier: "Normal coordinates analysis of vibrational spectra of 2-methylindoline and 5-hydroxyindane", Indian J. Pure Appl. Phys., Vol. 41, (2003), p. 95.
-
(2003)
Indian J. Pure Appl. Phys.
, vol.41
, pp. 95
-
-
Krishnakumar, V.1
John Xavier, R.2
-
24
-
-
11244335185
-
"Polycyclic aromatic compounds"
-
S.J. Bunce, H.G. Edwards, A.F. Johnson, I.R. Lewise and P.H. Turner: "Polycyclic aromatic compounds", Spectrochim. Acta A, Vol. 49, (1993), p. 775.
-
(1993)
Spectrochim. Acta A
, vol.49
, pp. 775
-
-
Bunce, S.J.1
Edwards, H.G.2
Johnson, A.F.3
Lewise, I.R.4
Turner, P.H.5
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