Journals in DBLP
Gernot Frenking , Norman L. Allinger Editors' preface. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:7-8 [Journal ] Paul von Ragué Schleyer An appreciation. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:9-11 [Journal ] Glênisson de Oliveira , Jan M. L. Martin , Indira K. C. Silwal , Joel F. Liebman Definitive heat of formation of methylenimine, CH2NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory . [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1297-1305 [Journal ] Wim Klopper , Claire C. M. Samson , György Tarczay , Attila G. Császár Equilibrium inversion barrier of NH3 from extrapolated coupled-cluster pair energies. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1306-1314 [Journal ] Noboru Watanabe , Yohei Kamata , Kota Yamauchi , Yasuo Udagawa Calculation of X-ray scattering intensities by means of the coupled cluster singles and doubles model. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1315-1320 [Journal ] F. Wang , H. Mackenzie-Ross , David A. Winkler , Ian E. McCarthy , Laurence Campbell , Michael J. Brunger A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1321-1333 [Journal ] Li Jie Wang , Se Li , Qian Shu Li Theoretical studies on a possible synthesis reaction pathway on N8 (CS) clusters. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1334-1339 [Journal ] Melissa L. P. Price , Dennis Ostrovsky , William L. Jorgensen Gas-phase and liquid-state properties of esters, nitriles, and nitro compounds with the OPLS-AA force field. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1340-1352 [Journal ] Kaoru Kobayashi , Yuko Sano , Shigeru Nagase Theoretical study of endohedral metallofullerenes: Sc3-nLanN@C80 (n=0-3). [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1353-1358 [Journal ] N. Balucani , O. Asvany , Y. T. Lee , Ralf I. Kaiser , N. Galland , M. T. Rayez , Y. Hannachi Gas-phase detection of the HBCC (X1) molecule: a combined crossed beam and computational study of the B(2P)+C2H2(1g+) reaction . [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1359-1365 [Journal ] Stanislav Ya. Umanskii , Konstantin P. Novoselov , Airat Kh. Minushev , Magdalena Siodmiak , Gernot Frenking , Anatoli A. Korkin Thermodynamics and kinetics of initial gas phase reactions in chemical vapor deposition of titanium nitride. Theoretical study of TiCl4 ammonolysis. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1366-1376 [Journal ] Amnon Stanger , Elena Tkachenko Strain induced bond localization in strained aromatic compounds with extended systems. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1377-1386 [Journal ] Petar M. Mitrasinovic Quantitative characterization of the PC bonds in ylides of phosphorus. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1387-1395 [Journal ] Charles H. Langley , Jenn-Huei Lii , Norman L. Allinger Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1396-1425 [Journal ] Charles H. Langley , Jenn-Huei Lii , Norman L. Allinger Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1426-1450 [Journal ] Charles H. Langley , Jenn-Huei Lii , Norman L. Allinger Molecular mechanics calculations on carbonyl compounds. III. Cycloketones. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1451-1475 [Journal ] Charles H. Langley , Jenn-Huei Lii , Norman L. Allinger Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1476-1483 [Journal ] Cheol Ho Choi , Klaus Ruedenberg , Mark S. Gordon New parallel optimal-parameter fast multipole method (OPFMM). [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1484-1501 [Journal ] Masahiko Hada , Jian Wan , Ryoichi Fukuda , Hiroshi Nakatsuji Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1502-1508 [Journal ] Asit K. Chandra , Tadafumi Uchimaru Reaction of OH radical with mono-, di-, and trichloroacetaldehyde: an ab initio study. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1509-1521 [Journal ] Trung Ngoc Le , Alexander M. Mebel , Ralf I. Kaiser Ab initio study of C4H3 potential energy surface and reaction of ground-state carbon atom with propargyl radical. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1522-1535 [Journal ] Masae Takahashi , Mitsuo Kira , Kenkichi Sakamoto , Thomas Müller , Yitzhak Apeloig Theoretical prediction of vertical transition energies of diaminosilylenes and aminosubstituted disilenes. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1536-1541 [Journal ] Eluvathingal D. Jemmis , M. Ramalingam , Elambalassery G. Jayasree Cationic Closo Carboranes - Promising Weakly Coordinating Ions. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1542-1551 [Journal ] Brian J. Duke Choice of Spin-Orbit Correction Terms in Gaussian Model Chemistries. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1552-1556 [Journal ] Corinne Lacaze-Dufaure , Tzonka Mineva , Nino Russo On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6 . [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1557-1564 [Journal ] David A. Hrovat , Richard Vaughan Williams , Alan C. Goren , Weston Thatcher Borden B3LYP calculations on bishomoaromaticity in substituted semibullvalenes*. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1565-1573 [Journal ] Matthew L. Leininger , C. David Sherrill , Wesley D. Allen , Henry F. Schaefer III Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1574-1589 [Journal ] Kathryn N. Rankin , Russell J. Boyd A density functional theory study of the dimers of HX (X = F, Cl, and Br). [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1590-1597 [Journal ] R. B. Sunoj , P. Lakshminarasimhan , V. Ramamurthy , J. Chandrasekhar Configuration interaction and density functional study of the influence of lithium cation complexation on vertical and adiabatic excitation energies of enones. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1598-1604 [Journal ] Matthias Prall , Alexander Wittkopp , Andrey A. Fokin , Peter R. Schreiner Substituent effects on the Bergman cyclization of (Z)-1, 5-hexadiyne-3-enes: a systematic computational study. [Citation Graph (0, 0)][DBLP ] Journal of Computational Chemistry, 2001, v:22, n:13, pp:1605-1614 [Journal ]