Record
1 of 152 |
Author(s): Kumar, S; Rai, AK; Singh, VB;
Rai, SB |
Title: Vibrational spectrum of glycine
molecule |
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61 (11-12): 2741-2746 SEP 2005 |
Record
2 of 152 |
Author(s): Wang, WH; Cao, GY |
Title: Investigations of double proton
transfer and one-electron oxidation behavior in double H-bonded
glycine-formamide complex in the gas phase |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 726 (1-3): 17-24 AUG 1 2005 |
Record
3 of 152 |
Author(s): Wang, WZ; Zhang, Y; Huang, KX |
Title: Unconventional interaction in
N(P)-related systems |
Source: CHEMICAL PHYSICS LETTERS, 411
(4-6): 439-444 AUG 15 2005 |
Record
4 of 152 |
Author(s): Senent, ML; Villa, M;
Dominguez-Gomez, R; Fernandez-Clavero, A |
Title: Ab initio study of the far
infrared spectrum of glycine |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 104 (4): 551-561 SEP 5 2005 |
Record
5 of 152 |
Author(s): Miller, TF; Clary, DC; Meijer,
AJHM |
Title: Collision-induced conformational
changes in glycine |
Source: JOURNAL OF CHEMICAL PHYSICS, 122
(24): Art. No. 244323 JUN 22 2005 |
Record
6 of 152 |
Author(s): Chung-Phillips, A |
Title: Polyglycine conformational
analysis: Calculated vs experimental gas-phase basicities and proton
affinities |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (26): 5917-5932 JUL 7 2005 |
Record
7 of 152 |
Author(s): Jarmelo, S; Lapinski, L; Nowak,
MJ; Carey, PR; Fausto, R |
Title: Preferred conformers and
photochemical (lambda > 200 nm) reactivity of serine and
3,3-dideutero-serine in the neutral form |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (25): 5689-5707 JUN 30 2005 |
Record
8 of 152 |
Author(s): Leung, K; Rempe, SB |
Title: Ab initio molecular dynamics
study of glycine intramolecular proton transfer in water |
Source: JOURNAL OF CHEMICAL PHYSICS, 122
(18): Art. No. 184506 MAY 8 2005 |
Record
9 of 152 |
Author(s): Li, P; Bu, YX |
Title: Double proton transfer and
one-electron oxidation behavior in double H-bonded glycinamide-glycine
complex in the gas phase |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 26 (6): 552-560 APR 30 2005 |
Record
10 of 152 |
Author(s): Selvarengan, P; Kolandaivel, P |
Title: Study of metal ions (Na+, K+)
interaction with different conformations of glycine molecule |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 102 (4): 427-434 APR 15 2005 |
Record
11 of 152 |
Author(s): Miao, R; Jin, C; Yang, GS; Hong,
J; Zhao, CM; Zhu, LG |
Title: Comprehensive density functional
theory study on serine and related ions in gas phase: Conformations, gas
phase basicities, and acidities |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (10): 2340-2349 MAR 17 2005 |
Record
12 of 152 |
Author(s): Dabkowska, I; Gutowski, M; Rak,
J |
Title: Interaction with glycine
increases stability of a mutagenic tautomer of uracil. A density functional
theory study |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 127 (7): 2238-2248 FEB 23 2005 |
Record
13 of 152 |
Author(s): Constantino, E;
Rodriguez-Santiago, L; Sodupe, M; Tortajada, J |
Title: Interaction of Co+ and Co2+ with
glycine. A theoretical study |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (1): 224-230 JAN 13 2005 |
Record
14 of 152 |
Author(s): Herrera, B; Dolgounitcheva, O;
Zakrzewski, VG; Toro-Labbe, A; Ortiz, JV |
Title: Conformational effects on
glycine ionization energies and Dyson orbitals |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (52): 11703-11708 DEC 30 2004 |
Record
15 of 152 |
Author(s): Dehareng, D; Dive, G |
Title: Vertical ionization energies of
alpha-L-amino acids as a function of their conformation: an ab initio study |
Source: INTERNATIONAL JOURNAL OF
MOLECULAR SCIENCES, 5 (11-12): 301-332 NOV-DEC 2004 |
Record
16 of 152 |
Author(s): Allen, WD; Czinki, E; Csaszar,
AG |
Title: Molecular structure of proline |
Source: CHEMISTRY-A EUROPEAN JOURNAL, 10
(18): 4512-4517 SEP 20 2004 |
Record
17 of 152 |
Author(s): Blanco, S; Lesarri, A; Lopez,
JC; Alonso, JL |
Title: The gas-phase structure of
alanine |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 126 (37): 11675-11683 SEP 22 2004 |
Record
18 of 152 |
Author(s): Miller, TF; Clary, DC |
Title: Quantum free energies of the
conformer of glycine on an ab intito potential energy surface |
Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 6 (10): 2563-2571 MAY 21 2004 |
Record
19 of 152 |
Author(s): Nagy, PI; Takacs-Novak, K |
Title: Tautomeric and conformational
equilibria of biologically important (hydroxyphenyl)alkylamines in the gas
phase and in aqueous solution |
Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 6 (10): 2838-2848 MAY 21 2004 |
Record
20 of 152 |
Author(s): Ai, HQ; Bu, YX; Li, P; Chen, ZD;
Hu, XQ |
Title: Structures and positive binding
energies of glycine-2Li(+) in the gas phase: a theoretical study on optimal
reaction pathway and proton transfer induced by two lithium cations |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 678 (1-3): 91-103 JUN 14 2004 |
Record
21 of 152 |
Author(s): Ai, HQ; Bu, YX; Li, P; Li, ZQ |
Title: Fragmentation and deformation
mechanism of glycine isomers in gas phase: Investigations of charge effect |
Source: JOURNAL OF CHEMICAL PHYSICS, 120
(24): 11600-11614 JUN 22 2004 |
Record
22 of 152 |
Author(s): Selvarengan, P; Kolandaivel, P |
Title: Potential energy surface study
on glycine, alanine and their zwitterionic forms |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 671 (1-3): 77-86 FEB 23 2004 |
Record
23 of 152 |
Author(s): Ai, HQ; Bu, YX; Li, P; Sun, LX |
Title: Marked increments of stability
and proton affinity of the protonated, zwitterionic glycine induced by the
attachment of two excess electrons |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (18): 4156-4162 MAY 6 2004 |
Record
24 of 152 |
Author(s): Balta, B; Aviyente, V |
Title: Solvent effects on glycine II.
Water-assisted tautomerization |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 25 (5): 690-703 APR 15 2004 |
Record
25 of 152 |
Author(s): Gambino, GL; Lombardo, GM;
Grassi, A; Marletta, G |
Title: Molecular modeling of
interactions between L-lysine and a hydroxylated quartz surface |
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
108 (8): 2600-2607 FEB 26 2004 |
Record
26 of 152 |
Author(s): Ai, HQ; Bu, YX |
Title: Hydrates of the most stable
gas-phase mono- and di-protonated glycine derivatives: Origin of no
reservation energy bond in glycine-2H(2+) |
Source: JOURNAL OF CHEMICAL PHYSICS, 120
(5): 2208-2214 FEB 1 2004 |
Record
27 of 152 |
Author(s): Brinkmann, NR; Tschumper, GS;
Yan, G; Schaefer, HF |
Title: An alternative mechanism for the
dimerization of formic acid |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (47): 10208-10216 NOV 27 2003 |
Record
28 of 152 |
Author(s): Yamabe, S; Ono, N; Tsuchida, N |
Title: Molecular interactions between
glycine and H2O affording the zwitterion |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (39): 7915-7922 OCT 2 2003 |
Record
29 of 152 |
Author(s): Balta, B; Aviyente, V |
Title: Solvent effects on glycine. I. A
supermolecule modeling of tautomerization via intramolecular proton transfer |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 24 (14): 1789-1802 NOV 15 2003 |
Record
30 of 152 |
Author(s): Calaza, FC; Rigo, MV; Rinaldoni,
AN; Masman, MF; Koo, JCP; Rodriguez, AM; Enriz, RD |
Title: Comprehensive conformational
analysis of N-acetyl-L-isoleucine-N-methylamide: an ab initio study |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 634: 201-213 SEP 5 2003 |
Record
31 of 152 |
Author(s): Wesendrup, R; Laerdahl, JK;
Compton, RN; Schwerdtfeger, P |
Title: Biomolecular homochirality and
electroweak interactions. I. The Yamagata hypothesis |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (34): 6668-6673 AUG 28 2003 |
Record
32 of 152 |
Author(s): Li, P; Bu, YX; Ai, HQ |
Title: Conformational study of glycine
amide using density functional theory |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (33): 6419-6428 AUG 21 2003 |
Record
33 of 152 |
Author(s): Kuan, YJ; Charnley, SB; Huang,
HC; Tseng, WL; Kisiel, Z |
Title: Interstellar glycine |
Source: ASTROPHYSICAL JOURNAL, 593 (2):
848-867 Part 1 AUG 20 2003 |
Record
34 of 152 |
Author(s): Gordon, ML; Cooper, G; Morin, C;
Araki, T; Turci, CC; Kaznatcheev, K; Hitchcock, AP |
Title: Inner-shell excitation
spectroscopy of the peptide bond: Comparison of the C 1s, N 1s, and O 1s
spectra of glycine, glycyl-glycine, and glycyl-glycyl-glycine |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (32): 6144-6159 AUG 14 2003 |
Record
35 of 152 |
Author(s): Gapeev, A; Dunbar, RC |
Title: Na+ affinities of gas-phase
amino acids by ligand exchange equilibrium |
Source: INTERNATIONAL JOURNAL OF MASS
SPECTROMETRY, 228 (2-3): 825-839 AUG 15 2003 |
Record
36 of 152 |
Author(s): Ai, HQ; Bu, YX; Li, P |
Title: Intramolecular proton transfer
induced by divalent alkali earth metal cation in the gas state |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 94 (4): 205-214 SEP 5 2003 |
Record
37 of 152 |
Author(s): Gomez-Zavaglia, A; Fausto, R |
Title: Low-temperature solid-state FTIR
study of glycine, sarcosine and N,N-dimethylglycine: observation of neutral
forms of simple alpha-amino acids in the solid state |
Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 5 (15): 3154-3161 2003 |
Record
38 of 152 |
Author(s): Ai, HQ; Bu, YX; Han, KL |
Title: Glycine-Zn+/Zn2+ and their
hydrates: On the number of water molecules necessary to stabilize the
switterionic glycine-Zn+/Zn2+ over the nonzwitterionic ones |
Source: JOURNAL OF CHEMICAL PHYSICS, 118
(24): 10973-10985 JUN 22 2003 |
Record
39 of 152 |
Author(s): Wang, WZ; Pu, XM; Zheng, WX;
Wong, NB; Tian, AM |
Title: Some theoretical observations on
the 1 : 1 glycine zwitterion-water complex |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 626: 127-132 MAY 30 2003 |
Record
40 of 152 |
Author(s): Pu, XM; Wang, WZ; Zheng, WX;
Wong, NB; Tian, AM |
Title: The gas-phase conformations of
(N-Cl)-glycine: some theoretical observations |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 626: 133-142 MAY 30 2003 |
Record
41 of 152 |
Author(s): Lambie, B; Ramaekers, R; Maes, G |
Title: On the contribution of
intramolecular H-bonding entropy to the conformational stability of alanine
conformations |
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 59 (6): 1387-1397 APR 2003 |
Record
42 of 152 |
Author(s): Marino, T; Russo, N; Toscano, M |
Title: Interaction of Li+, Na+, and K+
with the proline amino acid. Complexation modes, potential energy profiles,
and metal ion affinities |
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
107 (11): 2588-2594 MAR 20 2003 |
Record
43 of 152 |
Author(s): Tortonda, FR; Pascual-Ahuir, JL;
Silla, E; Tunon, I |
Title: A theoretical study of solvent
effects on the conformational equilibria of neutral glycine in aqueous
solution |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 623: 203-210 APR 4 2003 |
Record
44 of 152 |
Author(s): Kang, JH; Toomes, RL; Polcik, M;
Kittel, M; Hoeft, JT; Efstathiou, V; Woodruff, DP; Bradshaw, AM |
Title: Structural investigation of
glycine on Cu(100) and comparison to glycine on Cu(110) |
Source: JOURNAL OF CHEMICAL PHYSICS, 118
(13): 6059-6071 APR 1 2003 |
Record
45 of 152 |
Author(s): Wang, WZ; Pu, XM; Zheng, WX;
Wong, NB; Tian, AM |
Title: Hyperconjugation versus
intramolecular hydrogen bond: origin of the conformational preference of
gaseous glycine |
Source: CHEMICAL PHYSICS LETTERS, 370
(1-2): 147-153 MAR 7 2003 |
Record
46 of 152 |
Author(s): Czinki, E; Csaszar, AG |
Title: Conformers of gaseous proline |
Source: CHEMISTRY-A EUROPEAN JOURNAL, 9
(4): 1008-1019 FEB 17 2003 |
Record
47 of 152 |
Author(s): Ai, HQ; Bu, YX; Chen, ZD |
Title: Theoretical investigation of
glycine-2Be(n+) (n=0,1,2) complexes in gas phase: Origin of negative
dissociation energies |
Source: JOURNAL OF CHEMICAL PHYSICS, 118
(4): 1761-1772 JAN 22 2003 |
Record
48 of 152 |
Author(s): Kirschner, KN; Lewin, AH; Bowen,
JP |
Title: Molecular mechanics force-field
development for amino acid zwitterions |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 24 (1): 111-128 JAN 15 2003 |
Record
49 of 152 |
Author(s): Selvarengan, P; Kolandaivel, P |
Title: Studies of solvent effects on
conformers of glycine molecule |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 617: 99-106 OCT 31 2002 |
Record
50 of 152 |
Author(s): Wang, WZ; Zheng, WX; Pu, XM;
Wong, NB; Tian, AM |
Title: The 1 : 1 glycine-water complex:
some theoretical observations |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 618 (3): 235-244 NOV 29 2002 |
Record
51 of 152 |
Author(s): Chocholousova, J; Vacek, J;
Huisken, F; Werhahn, O; Hobza, P |
Title: Stacked structure of the glycine
dimer is more stable than the cyclic planar geometry with two O-H center dot
center dot center dot O hydrogen bonds: Concerted action of empirical,
high-level nonempirical ab initio, and experimental studies |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
106 (47): 11540-11549 NOV 28 2002 |
Record
52 of 152 |
Author(s): Moision, RM; Armentrout, PB |
Title: Experimental and theoretical
dissection of sodium cation/glycine interactions |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
106 (43): 10350-10362 OCT 31 2002 |
Record
53 of 152 |
Author(s): Bakri, B; Demaison, J; Kleiner,
I; Margules, L; Mollendal, H; Petitprez, D; Wlodarczak, G |
Title: Rotational spectrum, hyperfine
structure, and internal rotation of methyl carbamate |
Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 215 (2): 312-316 OCT 2002 |
Record
54 of 152 |
Author(s): Weinkauf, R; Schermann, JP; de
Vries, MS; Kleinermanns, K |
Title: Molecular physics of building
blocks of life under isolated or defined conditions |
Source: EUROPEAN PHYSICAL JOURNAL D, 20
(3): 309-316 SEP 2002 |
Record
55 of 152 |
Author(s): Ai, HQ; Bu, YX; Han, KL |
Title: Structure and property of
glycine's derivatives bound by multications (H+, Li+, and Na+): A theoretical
study |
Source: JOURNAL OF CHEMICAL PHYSICS, 117
(16): 7593-7602 OCT 22 2002 |
Record
56 of 152 |
Author(s): Dabkowska, I; Rak, J; Gutowski,
M |
Title: Computational study of
hydrogen-bonded complexes between the most stable tautomers of glycine and
uracil |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
106 (32): 7423-7433 AUG 15 2002 |
Record
57 of 152 |
Author(s): Shoeib, T; Siu, KWM; Hopkinson,
AC |
Title: Silver ion binding energies of
amino acids: Use of theory to assess the validity of experimental silver ion
basicities obtained from the kinetic method |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
106 (25): 6121-6128 JUN 27 2002 |
Record
58 of 152 |
Author(s): Chaudhuri, P; Canuto, S |
Title: An ab initio study of the
peptide bond formation between alanine and glycine: electron correlation
effects on the structure and binding energy |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 577 (2-3): 267-279 JAN 31 2002 |
Record
59 of 152 |
Author(s): Hoyau, S; Pelicier, JP;
Rogalewicz, F; Hoppilliard, Y; Ohanessian, G |
Title: Complexation of glycine by
atomic metal cations in the gas phase |
Source: EUROPEAN JOURNAL OF MASS
SPECTROMETRY, 7 (4-5): 303-311 2001 |
Record
60 of 152 |
Author(s): Headley, AD; Starnes, SD |
Title: Conformational analysis of
alpha-trifluoroalanine: a theoretical study |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 572: 89-95 SEP 17 2001 |
Record
61 of 152 |
Author(s): Shuler, K; Dykstra, CE |
Title: Electrical influence on
molecular conformation in glyoxal and glycine |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 547: 309-317 JUL 23 2001 |
Record
62 of 152 |
Author(s): Pacios, LF; Gomez, PC |
Title: Atomic charges in conformers of
gaseous glycine |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 544: 237-251 JUL 2 2001 |
Record
63 of 152 |
Author(s): Rak, J; Skurski, P; Gutowski, M |
Title: An ab initio study of the
betaine anion-dipole-bound anionic state of a model zwitterion system |
Source: JOURNAL OF CHEMICAL PHYSICS, 114
(24): 10673-10681 JUN 22 2001 |
Record
64 of 152 |
Author(s): Pacios, LF; Galvez, O; Gomez, PC |
Title: Intramolecular effects and
relative stabilities of conformers of gaseous glycine |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
105 (21): 5232-5241 MAY 31 2001 |
Record
65 of 152 |
Author(s): Pacios, LF; Gomez, PC |
Title: Intramolecular interactions and
intramolecular hydrogen bonding in conformers of gaseous glycine |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 22 (7): 702-716 MAY 2001 |
Record
66 of 152 |
Author(s): Hudaky, P; Jakli, I; Csaszar,
AG; Perczel, A |
Title: Peptide models XXXI.
Conformational properties of hydrophobic residues shaping the core of
proteins. An ab initio study of N-formyl-L-valinamide and
N-formyl-L-phenylalaninamide |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 22 (7): 732-751 MAY 2001 |
Record
67 of 152 |
Author(s): Improta, R; Barone, V; Kudin,
KN; Scuseria, GE |
Title: Structure and conformational
behavior of biopolymers by density functional calculations employing periodic
boundary conditions. I. The case of polyglycine, polyalanine, and
poly-alpha-aminoisobutyric acid in vacuo |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 123 (14): 3311-3322 APR 11 2001 |
Record
68 of 152 |
Author(s): Perczel, A; Csaszar, AG |
Title: Toward direct determination of
conformations of protein building units from multidimensional NMR experiments
part II: A theoretical case study of Formyl-L-Valine amide |
Source: CHEMISTRY-A EUROPEAN JOURNAL, 7
(5): 1069-1083 MAR 2 2001 |
Record
69 of 152 |
Author(s): Chu, IK; Shoeib, T; Guo, X;
Rodriquez, CF; Lan, TC; Hopkinson, AC; Siu, KWM |
Title: Characterization of the product
ions from the collision-induced dissociation of argentinated peptides |
Source: JOURNAL OF THE AMERICAN SOCIETY
FOR MASS SPECTROMETRY, 12 (2): 163-175 FEB 2001 |
Record
70 of 152 |
Author(s): Noguera, M; Rodriguez-Santiago,
L; Sodupe, M; Bertran, J |
Title: Protonation of glycine, serine
and cysteine. Conformations, proton affinities and intrinsic basicities |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 537: 307-318 Sp. Iss. SI MAR 12 2001 |
Record
71 of 152 |
Author(s): Aleman, C |
Title: A computational study of
partially modified retro-inverso valine dipeptides: Effect of the side chain
on the conformational preferences of malonyl and gem-diamino residues |
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
105 (4): 860-866 FEB 1 2001 |
Record
72 of 152 |
Author(s): Pulkkinen, S; Noguera, M;
Rodriguez-Santiago, L; Sodupe, M; Bertran, J |
Title: Gas phase intramolecular proton
transfer in cationized glycine and chlorine substituted derivatives (M-gly, M
= Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of zwitterionic structures? |
Source: CHEMISTRY-A EUROPEAN JOURNAL, 6
(23): 4393-4399 DEC 1 2000 |
Record
73 of 152 |
Author(s): Chaban, GM; Jung, JO; Gerber, RB |
Title: Anharmonic vibrational
spectroscopy of glycine: Testing of ab initio and empirical potentials |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
104 (44): 10035-10044 NOV 9 2000 |
Record
74 of 152 |
Author(s): Gutowski, M; Skurski, P; Simons,
J |
Title: Dipole-bound anions of glycine
based on the zwitterion and neutral structures |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 122 (41): 10159-10162 OCT 18 2000 |
Record
75 of 152 |
Author(s): Kassab, E; Langlet, J; Evleth,
E; Akacem, Y |
Title: Theoretical study of solvent
effect on intramolecular proton transfer of glycine |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 531: 267-282 OCT 23 2000 |
Record
76 of 152 |
Author(s): Bludsky, O; Chocholousova, J;
Vacek, J; Huisken, F; Hobza, P |
Title: Anharmonic treatment of the
lowest-energy conformers of glycine: A theoretical study |
Source: JOURNAL OF CHEMICAL PHYSICS, 113
(11): 4629-4635 SEP 15 2000 |
Record
77 of 152 |
Author(s): Headley, AD; Starnes, SD |
Title: Ab initio study of anomeric
effect in 2,2-difluoroglycine |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 507: 281-287 JUL 24 2000 |
Record
78 of 152 |
Author(s): Rogalewicz, F; Hoppilliard, Y |
Title: Low energy fragmentation of
protonated glycine. An ab initio theoretical study |
Source: INTERNATIONAL JOURNAL OF MASS
SPECTROMETRY, 199 (1-3): 235-252 JUN 25 2000 |
Record
79 of 152 |
Author(s): Perczel, A; Csaszar, AG |
Title: Toward direct determination of
conformations of protein building units from multidimensional NMR experiments
I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2 |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 21 (10): 882-900 JUL 30 2000 |
Record
80 of 152 |
Author(s): Jakli, I; Perczel, A; Farkas, O;
Csaszar, AG; Sosa, C; Csizmadia, IG |
Title: Peptide models XXIII.
Conformational model for polar side-chain containing amino acid residues: A
comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 21 (8): 626-655 JUN 2000 |
Record
81 of 152 |
Author(s): Cerda, BA; Wesdemiotis, C |
Title: Zwitterionic vs. charge-solvated
structures in the binding of arginine to alkali metal ions in the gas phase |
Source: ANALYST, 125 (4): 657-660 APR
2000 |
Record
82 of 152 |
Author(s): Rodriguez-Santiago, L; Sodupe,
M; Oliva, A; Bertran, J |
Title: Intramolecular proton transfer
in glycine radical cation |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
104 (6): 1256-1261 FEB 17 2000 |
Record
83 of 152 |
Author(s): Polce, MJ; Wesdemiotis, C |
Title: First generation and
characterization of the enol of glycine, H2N-CH=C(OH)(2), in the gas phase |
Source: JOURNAL OF MASS SPECTROMETRY, 35
(2): 251-257 FEB 2000 |
Record
84 of 152 |
Author(s): de Carvalho, LAEB; Marques, MPM;
Teixeira-Dias, JJC |
Title: Oxygen-by-sulfur substitutions
in glycine: conformational and vibrational effects |
Source: JOURNAL OF THE CHEMICAL
SOCIETY-PERKIN TRANSACTIONS 2, (11): 2507-2514 NOV 1999 |
Record
85 of 152 |
Author(s): Jockusch, RA; Price, WD;
Williams, ER |
Title: Structure of cationized arginine
(Arg center dot M+, M = H, Li, Na, K, Rb, and Cs) in the gas phase: Further
evidence for zwitterionic arginine |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (46): 9266-9274 NOV 18 1999 |
Record
86 of 152 |
Author(s): Dega-Szafran, Z; Katrusiak, A;
Szafran, M |
Title: Conformations of, and NHO
hydrogen bond in, piperidine-1-valeric acid and its dihydrate |
Source: JOURNAL OF THE CHEMICAL
SOCIETY-PERKIN TRANSACTIONS 2, (9): 1967-1971 1999 |
Record
87 of 152 |
Author(s): McGlone, SJ; Elmes, PS; Brown,
RD; Godfrey, PD |
Title: Molecular structure of a
conformer of glycine by microwave spectroscopy |
Source: JOURNAL OF MOLECULAR STRUCTURE,
486: 225-238 Sp. Iss. SI AUG 10 1999 |
Record
88 of 152 |
Author(s): Lavrich, RJ; Farrar, JO;
Tubergen, MJ |
Title: Heavy-atom structure of
alaninamide from rotational spectroscopy |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (24): 4659-4663 JUN 17 1999 |
Record
89 of 152 |
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Latajka, Z; Wierzejewska, M; Ratajczak, H |
Title: Combined matrix isolation IR
spectroscopic and ab initio quantum chemical study of the molecular structure
of aminomethylphosphinic acid |
Source: JOURNAL OF MOLECULAR STRUCTURE,
484 (1-3): 19-30 JUN 8 1999 |
Record
90 of 152 |
Author(s): Headley, AD; Starnes, SD |
Title: Theoretical investigation of the
gas phase tautomerization of sarcosine |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 467 (2): 95-101 JUL 16 1999 |
Record
91 of 152 |
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Adamowicz, L |
Title: Combined matrix-isolation
infrared and theoretical DFT and ab initio study of the nonionized valine
conformers |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (22): 4404-4412 JUN 3 1999 |
Record
92 of 152 |
Author(s): Zhang, K; Chung-Phillips, A |
Title: A computational study of
intramolecular proton transfer in gaseous protonated glycine |
Source: JOURNAL OF CHEMICAL INFORMATION
AND COMPUTER SCIENCES, 39 (2): 382-395 MAR-APR 1999 |
Record
93 of 152 |
Author(s): Csaszar, AG; Perczel, A |
Title: Ab initio characterization of
building units in peptides and proteins |
Source: PROGRESS IN BIOPHYSICS &
MOLECULAR BIOLOGY, 71 (2): 243-309 1999 |
Record
94 of 152 |
Author(s): Ivanov, AY; Sheina, G; Blagoi,
YP |
Title: FTIR spectroscopic study of the
UV-induced rotamerization of glycine in the low temperature matrices (Kr, Ar,
Ne) |
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 55 (1): 219-228 JAN 1999 |
Record
95 of 152 |
Author(s): Zhang, K; Chung-Phillips, A |
Title: Conformers of gaseous protonated
glycine |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 19 (16): 1862-1876 DEC 1998 |
Record
96 of 152 |
Author(s): Carballeira, L; Perez-Juste, I |
Title: Ab initio conformational
analysis of alpha-aminoaldehydes and alpha-aminoketones in the gas phase and
in aqueous solution |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 453: 233-245 OCT 30 1998 |
Record
97 of 152 |
Author(s): Headley, AD; Starnes, SD |
Title: Theoretical studies on the gas
phase tautomerization of N,N-dimethylglycine |
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 453: 247-253 OCT 30 1998 |
Record
98 of 152 |
Author(s): Chakraborty, D; Manogaran, S |
Title: Vibrational analysis of glycine
zwitterion - an ab initio study |
Source: CHEMICAL PHYSICS LETTERS, 294
(1-3): 56-64 SEP 11 1998 |
Record
99 of 152 |
Author(s): Dega-Szafran, Z;
Ratajczak-Sitarz, M; Prawniczak, L; Kosturkiewicz, Z; Koput, J; Szafran, M |
Title: Conformational analysis of
N-methylpyrrolidine betaine hydrochloride by X-ray diffraction and ab initio
calculations |
Source: JOURNAL OF CHEMICAL RESEARCH-S,
(6): 296-+ JUN 1998 |
Record
100 of 152 |
Author(s): Hoyau, S; Ohanessian, G |
Title: Interaction of alkali metal
cations (Li+-Cs+) with glycine in the gas phase: A theoretical study |
Source: CHEMISTRY-A EUROPEAN JOURNAL, 4
(8): 1561-1569 AUG 1998 |
Record
101 of 152 |
Author(s): Tajkhorshid, E; Jalkanen, KJ;
Suhai, S |
Title: Structure and vibrational
spectra of the zwitterion L-alanine in the presence of explicit water
molecules: A density functional analysis |
Source: JOURNAL OF PHYSICAL CHEMISTRY B,
102 (30): 5899-5913 JUL 23 1998 |
Record
102 of 152 |
Author(s): Csaszar, AG; Allen, WD;
Schaefer, HF |
Title: In pursuit of the ab initio
limit for conformational energy prototypes |
Source: JOURNAL OF CHEMICAL PHYSICS, 108
(23): 9751-9764 JUN 15 1998 |
Record
103 of 152 |
Author(s): Alexandrov, V; Stepanian, S;
Adamowicz, L |
Title: Theoretical ab initio study of
O-H vibrational band in gas-phase glycine conformers |
Source: CHEMICAL PHYSICS LETTERS, 291
(1-2): 110-120 JUL 10 1998 |
Record
104 of 152 |
Author(s): Barlow, SM; Kitching, KJ; Haq,
S; Richardson, NV |
Title: A study of glycine adsorption on
a Cu{110} surface using reflection absorption infrared spectroscopy |
Source: SURFACE SCIENCE, 401 (3):
322-335 APR 10 1998 |
Record
105 of 152 |
Author(s): Kaschner, R; Hohl, D |
Title: Density functional theory and
biomolecules: A study of glycine, alanine, and their oligopeptides |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (26): 5111-5116 JUN 25 1998 |
Record
106 of 152 |
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Adamowicz, L |
Title: Conformational behavior of
alpha-alanine. Matrix-isolation infrared and theoretical DFT and ab initio
study |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (24): 4623-4629 JUN 11 1998 |
Record
107 of 152 |
Author(s): Zhang, K; Chung-Phillips, A |
Title: Gas-phase basicity of glycine: A
comprehensive ab initio study |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (20): 3625-3634 MAY 14 1998 |
Record
108 of 152 |
Author(s): Price, WD; Jockusch, RA;
Williams, ER |
Title: Binding energies of protonated
betaine complexes: A probe of zwitterion structure in the gas phase |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 120 (14): 3474-3484 APR 15 1998 |
Record
109 of 152 |
Author(s): Topol, IA; Burt, SK; Toscano, M;
Russo, N |
Title: Protonation of glycine and
alanine: proton affinities, intrinsic basicities and proton transfer path |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 430: 41-49 APR 14 1998 |
Record
110 of 152 |
Author(s): Adamo, C; Barone, V |
Title: Implementation and validation of
the Lacks-Gordon exchange functional in conventional density functional and
adiabatic connection methods |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 19 (4): 418-429 MAR 1998 |
Record
111 of 152 |
Author(s): Stepanian, SG; Reva, ID;
Radchenko, ED; Rosado, MTS; Duarte, MLTS; Fausto, R; Adamowicz, L |
Title: Matrix-isolation infrared and
theoretical studies of the glycine conformers |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (6): 1041-1054 FEB 5 1998 |
Record
112 of 152 |
Author(s): Szafran, M; Koput, J; Baran, J;
Glowiak, T |
Title: Structure and vibrational
spectra of pyridine betaine hydrochloride |
Source: JOURNAL OF MOLECULAR STRUCTURE,
437: 123-142 Sp. Iss. SI DEC 15 1997 |
Record
113 of 152 |
Author(s): Okuyama-Yoshida, N; Nagaoka, M;
Yamabe, T |
Title: Potential energy function for
intramolecular proton transfer reaction of glycine in aqueous solution |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (1): 285-292 JAN 1 1998 |
Record
114 of 152 |
Author(s): Price, WD; Jockusch, RA;
Williams, ER |
Title: Is arginine a zwitterion in the
gas phase? |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 119 (49): 11988-11989 DEC 10 1997 |
Record
115 of 152 |
Author(s): Sirois, S; Proynov, EI; Nguyen,
DT; Salahub, DR |
Title: Hydrogen-bonding in glycine and
malonaldehyde: Performance of the Lap1 correlation functional |
Source: JOURNAL OF CHEMICAL PHYSICS, 107
(17): 6770-6781 NOV 1 1997 |
Record
116 of 152 |
Author(s): Nguyen, DT; Scheiner, AC;
Andzelm, JW; Sirois, S; Salahub, DR; Hagler, AT |
Title: A density functional study of
the glycine molecule: Comparison with post-Hartree-Fock calculations and
experiment |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 18 (13): 1609-1631 OCT 1997 |
Record
117 of 152 |
Author(s): Perczel, A; Farkas, O; Csaszar,
AG; Csizmadia, IG |
Title: Peptide models .20. Aromatic
side-chain - Backbone interaction in phenylalanine-containing diamide model
system. A systematic search for the identification of all the ab initio
conformers of N-formyl-L-phenylalanine-amide |
Source: CANADIAN JOURNAL OF
CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 75 (8): 1120-1130 AUG 1997 |
Record
118 of 152 |
Author(s): Chakraborty, D; Manogaran, S |
Title: Theoretical prediction of
vibrational spectrum of N-glycylglycine hydrochloride: An ab initio study |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
101 (37): 6964-6969 SEP 11 1997 |
Record
119 of 152 |
Author(s): Proynov, EI; Sirois, S; Salahub,
DR |
Title: Extension of the LAP functional
to include parallel spin correlation |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 64 (4): 427-446 SEP 5 1997 |
Record
120 of 152 |
Author(s): Hu, CH; Chong, DP; Casida, ME |
Title: The parametrized second-order
Green function times screened interaction (pGW2) approximation for
calculation of outer valence ionization potentials |
Source: JOURNAL OF ELECTRON SPECTROSCOPY
AND RELATED PHENOMENA, 85 (1-2): 39-46 APR 1997 |
Record
121 of 152 |
Author(s): Shirazian, S; Gronert, S |
Title: The gas-phase conformations of
valine: An ab initio study |
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 397: 107-112 JUN 2 1997 |
Record
122 of 152 |
Author(s): Baldridge, K; Klamt, A |
Title: First principles implementation
of solvent effects without outlying charge error |
Source: JOURNAL OF CHEMICAL PHYSICS, 106
(16): 6622-6633 APR 22 1997 |
Record
123 of 152 |
Author(s): vonSzentpaly, L; Shamovsky, IL;
Ghosh, R; Dakkouri, M |
Title: Full ab initio conformational
spectrum of alpha,alpha'-diaminoacetone |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
101 (16): 3032-3037 APR 17 1997 |
Record
124 of 152 |
Author(s): Hoyau, S; Ohanessian, G |
Title: Absolute affinities of
alpha-amino acids for Cu+ in the gas phase. A theoretical study |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 119 (8): 2016-2024 FEB 26 1997 |
Record
125 of 152 |
Author(s): Rosado, MT; Duarte, MLTS;
Fausto, R |
Title: Conformational isomerism in
glycine and dithioglycine: A comparative molecular orbital study |
Source: PHOSPHORUS SULFUR AND SILICON
AND THE RELATED ELEMENTS, 116: 153-173 1996 |
Record
126 of 152 |
Author(s): Headley, AD; Starnes, SD |
Title: Conformational analysis of
N-methylglycine and N,N-dimethylglycine by ab initio calculations |
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 370 (2-3): 147-155 OCT 30 1996 |
Record
127 of 152 |
Author(s): Neville, JJ; Zheng, Y;
Hollebone, BP; Cann, NM; Brion, CE; Kim, CK; Wolfe, S |
Title: EMS studies of larger molecules
of chemical and biochemical interest |
Source: CANADIAN JOURNAL OF PHYSICS, 74
(11-12): 773-781 NOV-DEC 1996 |
Record
128 of 152 |
Author(s): SerranoAndres, L; Fulscher, MP |
Title: Theoretical study of the
electronic spectroscopy of peptides .2. Glycine and N-acetylglycine |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 118 (48): 12200-12206 DEC 4 1996 |
Record
129 of 152 |
Author(s): Neville, JJ; Zheng, Y; Brion, CE |
Title: Glycine valence orbital electron
densities: Comparison of electron momentum spectroscopy experiments with
Hartree-Fock and density functional theories |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 118 (43): 10533-10544 OCT 30 1996 |
Record
130 of 152 |
Author(s): Baeten, A; DeProft, F;
Geerlings, P |
Title: Proton affinity of amino acids:
Their interpretation with density functional theory-based descriptors |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 60 (4): 931-939 NOV 15 1996 |
Record
131 of 152 |
Author(s): Csaszar, AG |
Title: Conformers of gaseous
alpha-alanine |
Source: JOURNAL OF PHYSICAL CHEMISTRY,
100 (9): 3541-3551 FEB 29 1996 |
Record
132 of 152 |
Author(s): Ding, YB; KroghJespersen, K |
Title: The 1:1 glycine zwitterion-water
complex: An ab initio electronic structure study |
Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 17 (3): 338-349 FEB 1996 |
Record
133 of 152 |
Author(s): deGiambiagi, MMS; Giambiagi, M;
Fonseca, AR |
Title: About a certain dynamical system
in molecular configuration space |
Source: JOURNAL OF MATHEMATICAL
CHEMISTRY, 18 (2-4): 121-132 1995 |
Record
134 of 152 |
Author(s): Barone, V; Adamo, C; Grand, A;
Jolibois, F; Brunel, Y; Subra, R |
Title: Structure and ESR features of
glycine radical |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 117 (50): 12618-12624 DEC 20 1995 |
Record
135 of 152 |
Author(s): LOVAS, FJ; KAWASHIMA, Y; GRABOW,
JU; SUENRAM, RD; FRASER, GT; HIROTA, E |
Title: MICROWAVE-SPECTRA,
HYPERFINE-STRUCTURE, AND ELECTRIC-DIPOLE MOMENTS FOR CONFORMERS-I AND
CONFORMER-II OF GLYCINE |
Source: ASTROPHYSICAL JOURNAL, 455 (2):
L201-L204 Part 2 DEC 20 1995 |
Record
136 of 152 |
Author(s): ZHENG, Y; NEVILLE, JJ; BRION, CE |
Title: IMAGING THE ELECTRON-DENSITY IN
THE HIGHEST OCCUPIED MOLECULAR-ORBITAL OF GLYCINE |
Source: SCIENCE, 270 (5237): 786-788 NOV
3 1995 |
Record
137 of 152 |
Author(s): TRUONG, TN; STEFANOVICH, EV |
Title: ANALYTICAL FIRST AND 2ND ENERGY
DERIVATIVES OF THE GENERALIZED CONDUCTORLIKE SCREENING MODEL FOR FREE-ENERGY
OF SOLVATION |
Source: JOURNAL OF CHEMICAL PHYSICS, 103
(9): 3709-3717 SEP 1 1995 |
Record
138 of 152 |
Author(s): JENSEN, JH; GORDON, MS |
Title: ON THE NUMBER OF WATER-MOLECULES
NECESSARY TO STABILIZE THE GLYCINE ZWITTERION |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 117 (31): 8159-8170 AUG 9 1995 |
Record
139 of 152 |
Author(s): CAO, M; NEWTON, SQ; PRANATA, J;
SCHAFER, L |
Title: AB-INITIO
CONFORMATIONAL-ANALYSIS OF ALANINE |
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 332 (3): 251-267 MAR 10 1995 |
Record
140 of 152 |
Author(s): CASSADY, CJ; CARR, SR; ZHANG, K;
CHUNGPHILLIPS, A |
Title: EXPERIMENTAL AND AB-INITIO
STUDIES ON PROTONATIONS OF ALANINE AND SMALL PEPTIDES OF ALANINE AND GLYCINE |
Source: JOURNAL OF ORGANIC CHEMISTRY, 60
(6): 1704-1712 MAR 24 1995 |
Record
141 of 152 |
Author(s): CSASZAR, AG |
Title: ON THE STRUCTURES OF FREE
GLYCINE AND ALPHA-ALANINE |
Source: JOURNAL OF MOLECULAR STRUCTURE,
346: 141-152 FEB 15 1995 |
Record
142 of 152 |
Author(s): GRONERT, S; OHAIR, RAJ |
Title: AB-INITIO STUDIES OF AMINO-ACID
CONFORMATIONS .1. THE CONFORMERS OF ALANINE, SERINE, AND CYSTEINE |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 117 (7): 2071-2081 FEB 22 1995 |
Record
143 of 152 |
Author(s): KAMEDA, Y; EBATA, H; USUKI, T;
UEMURA, O; MISAWA, M |
Title: HYDRATION STRUCTURE OF GLYCINE
MOLECULES IN CONCENTRATED AQUEOUS-SOLUTIONS |
Source: BULLETIN OF THE CHEMICAL SOCIETY
OF JAPAN, 67 (12): 3159-3164 DEC 1994 |
Record
144 of 152 |
Author(s): BARONE, V; ADAMO, C; LELJ, F |
Title: CONFORMATIONAL BEHAVIOR OF
GASEOUS GLYCINE BY A DENSITY-FUNCTIONAL APPROACH |
Source: JOURNAL OF CHEMICAL PHYSICS, 102
(1): 364-370 JAN 1 1995 |
Record
145 of 152 |
Author(s): LELJ, F; ADAMO, C; BARONE, V |
Title: ROLE OF HARTREE-FOCK EXCHANGE IN
DENSITY-FUNCTIONAL THEORY - SOME ASPECTS OF THE CONFORMATIONAL
POTENTIAL-ENERGY SURFACE OF GLYCINE IN THE GAS-PHASE |
Source: CHEMICAL PHYSICS LETTERS, 230
(1-2): 189-195 NOV 18 1994 |
Record
146 of 152 |
Author(s): QIAN, WL; KRIMM, S |
Title: AB-INITIO FORCE-FIELD FOR THE
CARBOXYL GROUP OF GLUTATHIONE DERIVED FROM HYDROGEN-BONDED GLYCINE |
Source: JOURNAL OF PHYSICAL CHEMISTRY,
98 (40): 9992-10000 OCT 6 1994 |
Record
147 of 152 |
Author(s): SOMOGYI, A; WYSOCKI, VH; MAYER,
I |
Title: THE EFFECT OF PROTONATION SITE
ON BOND STRENGTHS IN SIMPLE PEPTIDES - APPLICATION OF AB-INITIO AND MODIFIED
NEGLECT OF DIFFERENTIAL-OVERLAP BOND ORDERS AND MODIFIED NEGLECT OF
DIFFERENTIAL-OVERLAP ENERGY PARTITIONING |
Source: JOURNAL OF THE AMERICAN SOCIETY
FOR MASS SPECTROMETRY, 5 (8): 704-717 AUG 1994 |
Record
148 of 152 |
Author(s): SULZBACH, HM; SCHLEYER, PV;
SCHAEFER, HF |
Title: INTERRELATIONSHIP BETWEEN
CONFORMATION AND THEORETICAL CHEMICAL-SHIFTS - CASE-STUDY ON GLYCINE AND
GLYCINE AMIDE |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 116 (9): 3967-3972 MAY 4 1994 |
Record
149 of 152 |
Author(s): KIKUCHI, O; MATSUOKA, T;
SAWAHATA, H; TAKAHASHI, O |
Title: AB-INITIO MOLECULAR-ORBITAL
CALCULATIONS INCLUDING SOLVENT EFFECTS BY GENERALIZED BORN FORMULA -
CONFORMATION OF ZWITTERIONIC FORMS OF GLYCINE, ALANINE AND SERINE IN WATER |
Source: THEOCHEM-JOURNAL OF MOLECULAR
STRUCTURE, 111: 79-87 MAR 10 1994 |
Record
150 of 152 |
Author(s): ZHANG, K; ZIMMERMAN, DM;
CHUNGPHILLIPS, A; CASSADY, CJ |
Title: EXPERIMENTAL AND AB-INITIO
STUDIES OF THE GAS-PHASE BASICITIES OF POLYGLYCINES |
Source: JOURNAL OF THE AMERICAN CHEMICAL
SOCIETY, 115 (23): 10812-10822 NOV 17 1993 |
Record
151 of 152 |
Author(s): MCCORMACK, AL; SOMOGYI, A;
DONGRE, AR; WYSOCKI, VH |
Title: FRAGMENTATION OF PROTONATED
PEPTIDES - SURFACE-INDUCED DISSOCIATION IN CONJUNCTION WITH A
QUANTUM-MECHANICAL APPROACH |
Source: ANALYTICAL CHEMISTRY, 65 (20):
2859-2872 OCT 15 1993 |
Record
152 of 152 |
Author(s): WU, ZC; FENSELAU, C |
Title: STRUCTURAL DETERMINANTS OF
GAS-PHASE BASICITIES OF PEPTIDES |
Source: TETRAHEDRON, 49 (41): 9197-9206
OCT 8 1993 |