A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION

S  SHAIK; F  BERNARDI; T  CLARK; M T  NGUYEN; Missing OLIVUCCI; D G  TRUHLAR; W T  BORDEN; L J  BUTLER; P V  SCHLEYER; P B  KARADAKOV; K N  HOUK; J  GERRATT; M A  ROBB; A J  STONE; F  WILLIAMS; M  KARPLUS; Missing BALLY; Missing WILSON; J  MICHL; Missing WALSH; J  TOMASI; J  BERTRAN

A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION

S SHAIK, F BERNARDI, T CLARK, M T NGUYEN, Missing OLIVUCCI, D G TRUHLAR, W T BORDEN, L J BUTLER, P V SCHLEYER, P B KARADAKOV, K N HOUK, J GERRATT, M A ROBB, A J STONE, F WILLIAMS, M KARPLUS, Missing BALLY, Missing WILSON, J MICHL, Missing WALSHJ TOMASI, J BERTRAN

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	1799-1810
Number of pages	12
Journal	JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
Volume	90
Issue number	12
Publication status	Published - 21 Jun 1994

Keywords

TRANSITION-STATE THEORY
AQUEOUS-SOLUTION
DIELECTRIC CONTINUA
CHARGE-DISTRIBUTION
CARBONYL ADDITION
ELECTRON-TRANSFER
HYDRIDE-TRANSFER
PROTON-TRANSFER
AB-INITIO
GAS-PHASE

Cite this

SHAIK, S., BERNARDI, F., CLARK, T., NGUYEN, M. T., OLIVUCCI, M., TRUHLAR, D. G., BORDEN, W. T., BUTLER, L. J., SCHLEYER, P. V., KARADAKOV, P. B., HOUK, K. N., GERRATT, J., ROBB, M. A., STONE, A. J., WILLIAMS, F., KARPLUS, M., BALLY, M., WILSON, M., MICHL, J., ... BERTRAN, J. (1994). A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 90(12), 1799-1810.

@article{83a158a05a7a40ecb2bf5e8b23683492,

title = "A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION",

keywords = "TRANSITION-STATE THEORY, AQUEOUS-SOLUTION, DIELECTRIC CONTINUA, CHARGE-DISTRIBUTION, CARBONYL ADDITION, ELECTRON-TRANSFER, HYDRIDE-TRANSFER, PROTON-TRANSFER, AB-INITIO, GAS-PHASE",

author = "S SHAIK and F BERNARDI and T CLARK and NGUYEN, {M T} and Missing OLIVUCCI and TRUHLAR, {D G} and BORDEN, {W T} and BUTLER, {L J} and SCHLEYER, {P V} and KARADAKOV, {P B} and HOUK, {K N} and J GERRATT and ROBB, {M A} and STONE, {A J} and F WILLIAMS and M KARPLUS and Missing BALLY and Missing WILSON and J MICHL and Missing WALSH and J TOMASI and J BERTRAN",

year = "1994",

month = jun,

day = "21",

language = "English",

volume = "90",

pages = "1799--1810",

journal = "JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS",

issn = "0956-5000",

publisher = "The Royal Society of Chemistry",

number = "12",

}

SHAIK, S, BERNARDI, F, CLARK, T, NGUYEN, MT, OLIVUCCI, M, TRUHLAR, DG, BORDEN, WT, BUTLER, LJ, SCHLEYER, PV, KARADAKOV, PB, HOUK, KN, GERRATT, J, ROBB, MA, STONE, AJ, WILLIAMS, F, KARPLUS, M, BALLY, M, WILSON, M, MICHL, J, WALSH, M, TOMASI, J & BERTRAN, J 1994, 'A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION', JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, vol. 90, no. 12, pp. 1799-1810.

A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION. / SHAIK, S ; BERNARDI, F ; CLARK, T et al.
In: JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, Vol. 90, No. 12, 21.06.1994, p. 1799-1810.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - A SYMPOSIUM ON POTENTIAL-ENERGY SURFACES AND ORGANIC-REACTION PATHS WAS HELD AT THE UNIVERSITY-OF-OXFORD ON THE 15TH, 16TH AND 17TH DECEMBER 1993 - GENERAL DISCUSSION

AU - SHAIK, S

AU - BERNARDI, F

AU - CLARK, T

AU - NGUYEN, M T

AU - OLIVUCCI, Missing

AU - TRUHLAR, D G

AU - BORDEN, W T

AU - BUTLER, L J

AU - SCHLEYER, P V

AU - KARADAKOV, P B

AU - HOUK, K N

AU - GERRATT, J

AU - ROBB, M A

AU - STONE, A J

AU - WILLIAMS, F

AU - KARPLUS, M

AU - BALLY, Missing

AU - WILSON, Missing

AU - MICHL, J

AU - WALSH, Missing

AU - TOMASI, J

AU - BERTRAN, J

PY - 1994/6/21

Y1 - 1994/6/21

KW - TRANSITION-STATE THEORY

KW - AQUEOUS-SOLUTION

KW - DIELECTRIC CONTINUA

KW - CHARGE-DISTRIBUTION

KW - CARBONYL ADDITION

KW - ELECTRON-TRANSFER

KW - HYDRIDE-TRANSFER

KW - PROTON-TRANSFER

KW - AB-INITIO

KW - GAS-PHASE

M3 - Article

SN - 0956-5000

VL - 90

SP - 1799

EP - 1810

JO - JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS

JF - JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS

IS - 12

ER -