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Journal of Molecular Structure
Volumn 611, Issue 1-3, 2002, Pages 147-154
Philosophy of scaling the quantum mechanical molecular force field versus philosophy of solving the inverse vibrational problem
(2)
Panchenko, Yurii N
a
De Maré, George R
b
a
MOSCOW STATE UNIVERSITY
(
Russian Federation
)
b
UNIVERSITÉ LIBRE DE BRUXELLES
(
Belgium
)
Author keywords
Inverse vibrational problem; Quantum mechanical force field; Scaling; Vibrational spectrum
Indexed keywords
ARTICLE; CALCULATION; FORCE; KINEMATICS; MATHEMATICAL MODEL; QUANTUM MECHANICS; SPECTROSCOPY; VIBRATION;
EID
:
0037134753
PISSN
:
00222860
EISSN
:
None
Source Type
:
Journal
DOI
:
10.1016/S0022-2860(02)00063-7
Document Type
:
Article
Times cited : (
21
)
References (
37
)
1
84873055189
Wiley, New York
(1986)
Ab Initio Molecular Orbital Theory
Hehre, W.J.
1
Radom, L.
2
Schleyer, P.
3
Pople, J.A.
4
2
0004003691
McGraw-Hill, New York
(1955)
Molecular Vibrations
Wilson E.B., Jr.
1
Decius, J.C.
2
Cross, P.C.
3
3
0003979425
Academic Press, New York
(1974)
Non-linear Parameter Estimation
Bard, Y.
1
4
0003612784
McGraw-Hill, NY
(1972)
Applied Non-linear Programming
Himmelblau, D.M.
1
5
0003099378
(1978)
Chem. Phys. Lett.
, vol.59
, pp. 17
Ha, T.-K.
1
Meyer, R.
2
Günthard, Hs.H.
3
6
0003956211
VSP BV. Utrecht, The Netherlands
(1999)
Inverse Problems of Vibrational Spectroscopy
Yagola, A.G.
1
Kochikov, I.V.
2
Kuramshina, G.M.
3
Pentin, Yu.A.
4
7
0001931801
(1997)
Moscow Univ. Phys. Bull.
, vol.52
, Issue.5
, pp. 28
Kochikov, I.V.
1
Kuramshina, G.M.
2
Stepanova, A.V.
3
Yagola, A.G.
4
8
0032489819
(1998)
J. Mol. Struct.
, vol.445
, pp. 243
Kochikov, I.V.
1
Tarasov, Yu.I.
2
Kuramshina, G.M.
3
Spiridonov, V.P.
4
Yagola, A.G.
5
Strand, T.G.
6
9
0000945623
(1976)
J. Chem. Phys.
, vol.64
, pp. 2783
Quade, C.R.
1
10
0002597818
(1977)
Moscow Univ. Chem. Bull.
, vol.32
, Issue.6
, pp. 9
Makhniov, A.S.
1
Stepanov, N.F.
2
Panchenko, Yu.N.
3
11
0032489889
(1998)
J. Mol. Struct.
, vol.445
, pp. 35
Gundersen, S.
1
Strand, T.G.
2
Volden, H.V.
3
12
33751499022
(1991)
J. Phys. Chem.
, vol.95
, pp. 9044
Goodman, L.
1
Ozkabak, A.G.
2
Thakur, S.N.
3
13
0003919078
Van Nostrand Reinhold Company, New York
(1979)
Molecular Spectra and Molecular Structure IV, Constants of Diatomic Molecules
Huber, K.P.
1
Herzberg, G.
2
14
0034611653
(2000)
J. Phys. Chem. A
, vol.104
, pp. 2865
Gauss, J.
1
Stanton, J.F.
2
15
12644291183
(1997)
J. Mol. Struct.
, vol.410-411
, pp. 327
Panchenko, Yu.N.
1
16
0001142702
(1976)
J. Mol. Struct.
, vol.34
, pp. 283
Panchenko, Yu.N.
1
Pulay, P.
2
Török, F.
3
17
0000807039
(1991)
J. Chem. Phys.
, vol.94
, pp. 1247
Pupyshev, V.I.
1
Panchenko, Yu.N.
2
Bock, Ch.W.
3
Pongor, G.
4
18
0000757295
(1995)
J. Mol. Struct.
, vol.348
, pp. 413
Panchenko, Yu.N.
1
De Maré, G.R.
2
Stepanov, N.F.
3
19
0039519029
(1995)
J. Phys. Chem.
, vol.99
, pp. 17544
Panchenko, Yu.N.
1
De Maré, G.R.
2
Pupyshev, V.I.
3
20
0003552289
Deuticke, Leipzig
(1937)
Einführung in die Quantenchemie
Hellmann, H.
1
21
34547564932
(1939)
Phys. Rev.
, vol.56
, pp. 340
Feynman, R.P.
1
22
0003863228
Springer, Berlin
(1971)
Handbook for Automatic Computation, Linear Algebra
Wilkinson, J.H.
1
Reinsch, C.
2
23
0003476369
Prentice-Hall, New Jersey
(1974)
Solving Least Squares Problems
Lawson, Ch.L.
1
Hanson, R.J.
2
24
0001957895
(1985)
Moscow Univ. Chem. Bull.
, vol.40
, Issue.1
, pp. 31
Krasnoshchiokov, S.V.
1
Abramenkov, A.V.
2
Panchenko, Yu.N.
3
25
0031494218
(1997)
Russ. J. Phys. Chem.
, vol.71
, pp. 426
Krasnoshchiokov, S.V.
1
Abramenkov, A.V.
2
Panchenko, Yu.N.
3
26
6944251055
(1934)
Phys. Rev.
, vol.46
, pp. 618
Møller, C.
1
Plesset, M.S.
2
27
0000189651
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
Becke A.D., Jr.
1
28
0001093654
(1998)
J. Chem. Phys.
, vol.109
, pp. 7286
Kuramshina, G.M.
1
Weinhold, F.
2
Pentin, Yu.A.
3
29
21344475965
(1994)
Russ. J. Phys. Chem.
, vol.68
, pp. 358
Kuramshina, G.M.
1
Weinhold, F.
2
Kochikov, I.V.
3
Pentin, Yu.A.
4
Yagola, A.G.
5
30
0033543198
(1999)
J. Mol. Struct.
, vol.485-486
, pp. 421
Kochikov, I.V.
1
Tarasov, Yu.I.
2
Spiridonov, V.P.
3
Kuramshina, G.M.
4
Yagola, A.G.
5
Saakjan, A.S.
6
Popik, M.V.
7
Samdal, S.
8
31
0034609428
(2000)
J. Mol. Struct.
, vol.550-551
, pp. 429
Kochikov, I.V.
1
Tarasov, Yu.I.
2
Spiridonov, V.P.
3
Kuramshina, G.M.
4
Saakjan, A.S.
5
Yagola, A.G.
6
32
51249166190
(1995)
J. Struct. Chem.
, vol.36
, Issue.2
, pp. 180
Pentin, Yu.A.
1
Kuramshina, G.M.
2
33
21844507825
(1995)
Russ. J. Phys. Chem.
, vol.69
, pp. 535
Panchenko, Yu.N.
1
Stepanov, N.F.
2
34
0001023572
(1996)
J. Mol. Struct.
, vol.376
, pp. 363
Pupyshev, V.I.
1
Stepanov, N.F.
2
Krasnoshchiokov, S.V.
3
De Maré, G.R.
4
Panchenko, Yu.N.
5
35
0001159526
(1997)
J. Struct. Chem.
, vol.38
, pp. 221
Kuramshina, G.M.
1
Yagola, A.G.
2
36
0030787513
(1997)
J. Mol. Struct.
, vol.410-411
, pp. 457
Kuramshina, G.M.
1
Weinhold, F.
2
37
0033806605
(2000)
Struct. Chem.
, vol.11
, pp. 121
Panchenko, Yu.N.
1
De Maré, G.R.
2
Aroca, R.
3
Bock, Ch.W.
4
* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.
