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N

Nicholas C. Handy

机构信息待补充

93H指数
482论文数
5.0W被引数
收录论文 39
发表时间
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Evaluation of ⟨S2⟩ in density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-06-04
err94
PREAI
errCohen, Aron J.; Tozer, David J.; Handy, Nicholas C.
err分享
err收藏
A reaction surface Hamiltonian study of malonaldehyde
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-08-28
err60
errOAAI
errTew, David P.; Handy, Nicholas C.; Carter, Stuart
err分享
err收藏
Density-functional generalized-gradient and hybrid calculations of electromagnetic properties using Slater basis sets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-04-22
err33
PREAI
errWatson, MA; Handy, NC; Cohen, AJ; Helgaker, T
err分享
err收藏
Comment on:: The renner effect in triatomic molecules with application to CH2+, MgNC and NH2 by P.!Jensen, T.E.!Odaka, W.P.!Kraemer, T.!Hirano and P.R.!Bunker (Spectrochimica Acta A58 763-794 (2002))
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2004-02-01
err0
PREAI
errCarter, S; Handy, NC; Rosmus, P
err分享
err收藏
Density functional calculations, using Slater basis sets, with exact exchange
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-10-01
err96
PREAI
errWatson, MA; Handy, NC; Cohen, AJ
err分享
err收藏
Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2003-06-01
err85
PREAI
errBurcl, R; Handy, NC; Carter, S
err分享
err收藏
Density functional generalized gradient calculations using Slater basis sets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-07-22
err22
PREAI
errCohen, AJ; Handy, NC
err分享
err收藏
New exchange-correlation density functionals: The role of the kinetic-energy density
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-06-08
err483
PREAI
errBoese, AD; Handy, NC
err分享
err收藏
A THEORETICAL-STUDY OF THE REACTION OF GROUND-STATE SILICON WITH ETHYLENE AND ACETYLENE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err30
PREAI
errSU, MD; AMOS, RD; HANDY, NC
err分享
err收藏
2ND-ORDER PERTURBATION-THEORY AND CONFIGURATION-INTERACTION THEORY APPLIED TO MEDIUM-SIZED MOLECULES - CYCLOPROPANE, ETHYLENIMINE, ETHYLENE-OXIDE, FLUOROETHANE, AND ACETALDEHYDE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err41
PREAI
errSIMANDIRAS, ED; AMOS, RD; HANDY, NC; LEE, TJ; RICE, JE; REMINGTON, RB; SCHAEFER, HF
err分享
err收藏
THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-2,3-DIDEUTERIOOXIRANE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err43
PREAI
errJALKANEN, KJ; STEPHENS, PJ; AMOS, RD; HANDY, NC
err分享
err收藏
THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-1(S),2(S)-DICYANOCYCLOPROPANE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err41
PREAI
errJALKANEN, KJ; STEPHENS, PJ; AMOS, RD; HANDY, NC
err分享
err收藏
A dynamical correlation functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-04-01
err51
PREAI
errHandy, NC; Cohen, AJ
err分享
err收藏
Ab initio prediction of the vibrational-rotational energy levels of hydrogen peroxide and its isotopomers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-11-08
err83
PREAI
errKoput, J; Carter, S; Handy, NC
err分享
err收藏
A new parametrization of exchange-correlation generalized gradient approximation functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-04-01
err708
PREAI
errBoese, AD; Handy, NC
err分享
err收藏
Thomas-Fermi-Dirac-von Weizsacker models in finite systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-01-08
err70
errOAAI
errChan, GKL; Cohen, AJ; Handy, NC
err分享
err收藏
Analytical calculation of nuclear magnetic resonance indirect spin-spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-12-01
err388
errOAAI
errHelgaker, T; Watson, M; Handy, NC
err分享
err收藏
Large amplitude vibrations in the X2A1 state of C2B
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-10-01
err7
PREAI
errLéonard, C; Chambaud, G; Rosmus, P; Carter, S; Handy, NC; Wyss, M; Maier, JP
err分享
err收藏
Nuclear shielding constants by density functional theory with gauge including atomic orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-08-22
err100
PREAI
errHelgaker, T; Wilson, PJ; Amos, RD; Handy, NC
err分享
err收藏
The vibrations of H2O2, studied by multimode, with a large amplitude motion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-07-15
err82
PREAI
errCarter, S; Handy, NC
err分享
err收藏

研究方向

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