Record 1 of 15
Author(s): Tarakeshwar, P; Manogaran, S
Title: Proline and hydroxyproline zwitterions - an ab initio study
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 417 (3): 255-263
OCT 30 1997
Record 2 of 15
Author(s): Tarakeshwar, P; Manogaran, S
Title: Vibrational frequencies of proline and hydroxyproline - An
ab initio study
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 365 (2-3): 167-181
JUN 28 1996
Record 3 of 15
Author(s): BINEV, IG; TSENOV, JA; VELCHEVA, EA; JUCHNOVSKI, IN
Title: INFRARED-SPECTRA AND STRUCTURE OF PHENYLACETONITRILE AND OF
ITS CARBANION - AN AB-INITIO FORCE-FIELD TREATMENT
Source: JOURNAL OF MOLECULAR STRUCTURE, 344 (3): 205-215 JAN 15
1995
Record 4 of 15
Author(s): ACKER, A; HOFMANN, HJ; CIMIRAGLIA, R
Title: ON THE TAUTOMERISM OF MALEIMIDE AND PHTHALIMIDE DERIVATIVES
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 121: 43-51 DEC 10
1994
Record 5 of 15
Author(s): SMIT, K; MATYSIK, J; HILDEBRANDT, P; MARK, F
Title: VIBRATIONAL ANALYSIS OF BILIVERDIN DIMETHYL ESTER
Source: JOURNAL OF PHYSICAL CHEMISTRY, 97 (46): 11887-11900 NOV 18
1993
Record 6 of 15
Author(s): YANG, BJ; TAYLOR, RC; MORRIS, MD; WANG, XZ; WU, JG; YU,
BZ; XU, GX; SOLOWAY, RD
Title: NORMAL-COORDINATE ANALYSIS OF BILIRUBIN VIBRATIONAL-SPECTRA
- EFFECTS OF INTRAMOLECULAR HYDROGEN-BONDING
Source: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR
SPECTROSCOPY, 49 (12): 1735-1749 NOV 1993
Record 7 of 15
Author(s): FLORIAN, J
Title: SCALED QUANTUM-MECHANICAL FORCE-FIELDS AND INTERPRETATION OF
VIBRATIONAL-SPECTRA OF DIFFERENTLY PROTONATED ADENINE
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 85: 83-100 JAN 31
1992
Record 8 of 15
Author(s): WIORKIEWICZKUCZERA, J; KARPLUS, M
Title: ABINITIO STUDY OF THE VIBRATIONAL-SPECTRA OF N9-H AND N7-H
ADENINE AND 9-METHYLADENINE
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 112 (13):
5324-5340 JUN 20 1990
Record 9 of 15
Author(s): SOMOGYI, A; JALSOVSZKY, G; FULOP, C; STARK, J; BOGGS, JE
Title: USE OF A SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD FOR THE
INTERPRETATION AND PREDICTION OF THE VIBRATIONAL-SPECTRA OF 4H-PYRAN-4-THIONE
Source: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR
SPECTROSCOPY, 45 (6): 679-693 1989
Record 10 of 15
Author(s): MAPLE, JR; DINUR, U; HAGLER, AT
Title: DERIVATION OF FORCE-FIELDS FOR MOLECULAR MECHANICS AND
DYNAMICS FROM ABINITIO ENERGY SURFACES
Source: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE
UNITED STATES OF AMERICA, 85 (15): 5350-5354 AUG 1988
Record 11 of 15
Author(s): CSASZAR, P; HARSANYI, L; BOGGS, JE
Title: VIBRATIONAL FREQUENCIES AND ASSIGNMENTS FOR SOME ISOTOPOMERS
OF URACIL USING A SCALED ABINITIO FORCE-FIELD
Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 33 (1): 1-17
JAN 1988
Record 12 of 15
Author(s): OHNO, K; MOROKUMA, K; HIROTA, F; HOSOYA, H; IWATA, S;
OSAMURA, Y; KASHIWAGI, H; YAMAMOTO, S; KITAURA, K; KOSUGI, N; NAKATSUJI, H;
OBARA, S; TANAKA, K; TOGASI, M; YAMABE, S
Title: QUANTUM-CHEMISTRY LITERATURE DATA-BASE .6. BIBLIOGRAPHY OF
ABINITIO CALCULATIONS FOR 1986
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 39: 1-+ DEC 1987
Record 13 of 15
Author(s): SOMOGYI, A; CSASZAR, P; DINYA, Z; CSASZAR, AG
Title: THEORETICAL FORCE-FIELDS AND VIBRATIONAL-SPECTRA OF
4H-PYRAN-4-ONE BY CNDO/2 AND MINDO/3 FORCE METHODS
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 36: 29-37 MAY 1987
Record 14 of 15
Author(s): FAN, KN; BOGGS, JE
Title: ROTATIONAL-ISOMERISM OF ACRYLIC-ACID
Source: JOURNAL OF MOLECULAR STRUCTURE, 157 (1-3): 31-41 MAR 1987
Record 15 of 15
Author(s): FAN, K; BOGGS, JE
Title: AN ABINITIO CALCULATION OF THE VIBRATIONAL FORCE-FIELD AND
SPECTRUM OF PYRAZOLE
Source: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 31 (3-4): 401-410
JUL 1986